**Próximos seminarios**

**Molecules in space**

# Marcelino Agúndez (IFF, CSIC)

**Date & location: ** Wed 06 Jun** ** 2018 12:30:00 GMT+0200 (CEST), Conference Room, Serrano 121 (CFMAC)

Abstract:

The interstellar medium is a harsh environment exposed to energetic radiation, where the survival of molecules does not seem favorable. However, molecules are found in many different types of interstellar and circumstellar clouds. The study of molecules has a twofold interest. On the one hand, they serve as excellent tools to characterize the physical conditions prevailing in the clouds. In some clouds that are heavily obscured at optical wavelengths, observing molecules is the only way to get access to the temperature, density, and kinematics of the internal regions. On the other hand, knowing how molecules are synthesized and why different environments host different types of molecules allows to understand the chemical evolution that matter experiences along the process in which stars and planets form. For this latter purpose, chemical models are an essential tool, and these models need to be fed by molecular data coming from laboratory experiments and theoretical calculations. A strong relation between astronomers and physicist and chemists is thus a must to correctly understand the physical and chemical evolution of matter along the life cycle of stars.

References:

Agúndez, M., & Wakelam, V. 2013, Chemical Reviews, 113, 8710. http://adsabs.harvard.edu/abs/2013ChRv..113.8710A

Herbst, E. The chemistry of interstellar space. Chem. Soc. Rev., 2001, 30, 168–176. http://pubs.rsc.org/en/content/articlelanding/2001/cs/a909040a#!divAbstract

**2018**

**May**

**Airborne Infrared Astronomy with SOFIA**

# Hans Zinneker (Deutsches SOFIA Institut)

**Date & location: ** Thu 24 May** ** 2018 12:00:00 GMT+0200 (CEST), Conference Room, Serrano 121 (CFMAC)

Abstract:

The Stratospheric Observatory for Infrared Astronomy (SOFIA) is an 80/20 joint project of NASA and the German Aerospace Center (DLR) to operate an airborne observatory. SOFIA is based on a Boeing 747SP wide-body aircraft that has been modified to include a large door in the aircraft fuselage that can be opened in flight to allow a 2.5 m diameter reflecting telescope access to the sky. This telescope is designed for infrared astronomy observations in the stratosphere at altitudes of about 12 kilometers. The primary science objectives of SOFIA are to study the composition of planetary atmospheres and surfaces; to investigate the structure, evolution and composition of comets; to determine the physics and chemistry of the interstellar medium; and to explore the formation of stars and other stellar objects. In this talk, we will review the capabilities of SOFIA, with an emphasis on molecular spectroscopy and astrochemistry studies.

**The role of computational modelling in catalysis and gas adsorption/separation with metal organic frameworks **

# Andreas Mavrandonakis (IMDEA Energy)

**Date & location: ** Wed 23 May** ** 2018 12:30:00 GMT+0200 (CEST), Meeting Room, Serrano 113-bis (CFMAC)

Abstract:

First-principles quantum Porous coordination materials such as metal/covalent organic frameworks (MOFs/COFs) have attracted considerable interest for their potential use in catalysis and gas adsorption and/or separation. In this work, several computational chemistry tools are used to explain the structure and reactivity of Metal Organic Frameworks for applications in catalysis and gas adsorption/separation. The complex dehydration process of NU-1000 will be presented. NU-1000 is a MOF that has a unique mixed proton topology, with significant importance in catalysis, acid/base chemistry and deposition of metal atoms on the nodes of the framework. Based on experimental results, it is suggested that the Zr6Ox nodes undergo structural distortions upon heating [1]. We try to assign the structural distortions in NU-1000 and compare with the phase transitions in bulk zirconia. Moreover, the importance of open metal sites will be emphasized, with focus on the energetics and vibrational properties of various adsorbed gaseous molecules [2, 3, 4, 5].

[1] Platero-Prats, A. E.; Mavrandonakis, A.; Gallington, L. C.; Liu, Y.; Hupp, J. T.; Farha, O. K.; Cramer, C. J.; Chapman, K. W. J. Am. Chem. Soc. 2016, 138, 4178–4185. [2] Wang, Z.; Sezen, H.; Liu, J.; Yang, C.; Roggenbuck, S. E.; Peikert, K.; Froba, M.; Mavrandonakis, A.; Supronowicz, B.; Heine, T.; Gliemann, H.; Woll, C. Microporous Mesoporous Mater. 2015, 207, 53–60. [3] Oh, H.; Savchenko, I.; Mavrandonakis, A.; Heine, T.; Hirscher, M. ACS Nano 2014, 8, 761–770. [4] Weinrauch, I.; Savchenko, I.; Denysenko, D.; Souliou, S. M.; Kim, H.-H.; Le Tacon, M.; Daemen, L. L.; Cheng, Y.; Mavrandonakis, A.; Ramirez-Cuesta, A. J.; Volkmer, D.; Schutz, G.; Hirscher, M.; Heine, T. Nat. Commun. 2017, 8, 14496. [5] Mavrandonakis, A.; Vogiatzis, K. D.; Boese, A. D.; Fink, K.; Heine, T.; Klopper, W. Inorg. Chem. 2015, 54, 8251–8263.

*Non-Equilibrium Quantum Dynamics and Conservation Laws: A Trapped-Ion Experiment Proposal*.

# Jordi Mur-Petit (Clarendon Laboratory, Oxford University)

**Date & location: ** Fri 11 May** ** 2018 14:30:00 GMT+0200 (CEST), Conference Room, Serrano 121 (CFMAC)

Abstract:

I will offer a review of these advances and discuss the limitations of QFRs when trying to obtain information about a quantum system with conserved charges. After this, I will present a new set of generalized fluctuation relations that are suitable for such a system, and illustrate its impact in a proposed trapped-ion experiment [5].

I will also provide an overview of ongoing research at interrogating complex quantum systems with quantum probes [6], and talk about new avenues opened up by certain recent advances that have been made concerning the trapping and cooling of diatomic molecules [7].

[1] See S. Vinjanampathy, J. Anders,

*Contemp. Phys.*(2016) for a recent review.

**57**, 545[2] T. H. Johnson et al.,

*Phys. Rev. A*(2016).

**93**, 053619[3] R. Dorner et al.,

*Phys. Rev. Lett.*(2013); also L. Mazzola et al.,

**110**, 230601*ibid.*(2013), and T. B. Batalhão et al.,

**110**, 230602*ibid.*(2014).

**113**, 140601[4] S. An et al.,

*Nature Phys.*(2015); also J. Roßnagel et al.,

**11**, 193*Science*(2016).

**352**, 325[5] J. Mur-Petit, A. Relaño, R. A. Molina, D. Jaksch,

*Nature Comms.*(2018); in the press, preprint available at arXiv:1711.00871.

[6] A. Usui, B. Buča, J. Mur-Petit.

*Quantum probe spectroscopy for cold atomic systems*[arXiv:1804.09237].

[7] J. A. Blackmore et al.,

*Ultracold Molecules: A Platform for Quantum Simulation*[arXiv:1804.02372].

**April**

**Benchmarking chemical reactivity in the deep tunnelling regime: the ultra-col behaviours of the F+H2**

**Date & location: ** Wed 18 Apr** ** 2018 12:30:00 GMT+0200 (CEST), Meeting Room, Serrano 113-bis (CFMAC)

Abstract:

Recent attention to cold environments, either in the laboratory or under astrophysical and other conditions, is putting at the forefront the tunnel effect, a principal source of deviations from the Arrhenius rate law. Progress in theoretical chemical kinetics relies on accurate knowledge of potential energy surfaces, as provided by advanced quantum chemistry and tested against experiments [1]. To generate accurate rate data, quantum scattering calculations involve sophisticated algorithms to produce scattering matrix elements at given angular momenta (to be summed to yield cross sections) and as a function of collision velocities (to be integrated to give rate constants and temperature dependencies). Here illustrated are these passages, a milestone having been benchmark temperature dependent rate constants for the prototypical F + H2 reaction [2], recently validated by experiments in the moderate tunnelling regime [3]. The F+ HD variant permits exploring tunnel as well as isotopic effects [4] and developing a phenomenology and interpretive ingredients down to the deep tunnelling regime [5,6] where the reactivity is strongly dominated by resonances and quantum effects. In the seminar we will discuss and compare cold and ultra-cold reactive behaviours of the F+H2 reaction and of its isotopic variants (F+HD and F+D2) to deeply understand its dependence by the entrance channel behaviour of the potential energy surface [2]. Simplified dynamical treatments and ultra-cold theories will be employed to understand the various resonance features obtained by ‘exact’ quantum reactive scattering results and as they affect cross sections and kinetic behaviours.

[1] D. De Fazio, S. Cavalli and V. Aquilanti; J. Phys. Chem. A, 120 (2016) 5288. [2] V. Aquilanti, S. Cavalli, D. De Fazio, A. Volpi, A. Aguilar, J. M. Lucas; Chem. Phys. 308, 237 (2005).

[3] M. Tizniti, S. D. Le Picard, F. Lique, C. Berteloite, A. Canosa, M. H. Alexander, I. R. Sims; Nat. Chem., 6, 141 (2014). [4] D. De Fazio, V. Aquilanti, S. Cavalli, A. Aguilar, J. M. Lucas; J.Chem. Phys. 125, 133109 (2006). [5] V. Aquilanti, K.C. Mundim, S. Cavalli, D. De Fazio, A. Aguilar, J. M. Lucas; Chem. Phys., 398,186-191 (2012). [6] S. Cavalli, V. Aquilanti, K. C. Mundim, D De Fazio; J Phys Chem A, 118, 6632–6641 (2014).

**March**

**Agregados de esferas magnéticas: Mapas energéticos y transiciones estructurales**

**Date & location: ** Wed 21 Mar** ** 2018 12:30:00 GMT+0200 (CEST), Meeting Room, Serrano 113-bis (CFMAC)

Abstract:

El autoensamblaje es un proceso espontáneo de formación de estructuras ordenadas a partir de constituyentes más o menos desordenados. En particular, la creación de superestructuras magnéticas formadas por esferas con momentos dipolares magnéticos permanentes (magnetos), es de gran interés por las muchas aplicaciones que tienen estos sistemas en diferentes áreas científicas y/o tecnológicas. En este seminario presentaremos un modelo de interacción entre magnetos [1], basado en interacciones de corto y largo alcance. Para las fuerzas de corto alcance utilizaremos el potencial binario de Morse, mientras que para las de largo alcance emplearemos la interacción estándar entre dipolos magnéticos permanentes. Con este modelo determinaremos las estructuras de mínimo global (las más estables) de hasta 50 agregados de esferas magnéticas. Presentaremos las morfologías más relevantes que se encuentran y que varían desde cadenas lineales, anillos circulares, apilamientos de dos y tres anillos circulares, hasta estructuras compactas basadas en láminas superpuestas. Para algunas estructuras seleccionadas, caracterizaremos su mapa energético [2] y analizaremos algunos caminos de reacción en importantes transiciones estructurales. Finalmente, estudiaremos el efecto de un campo magnético externo sobre estas estructuras.

Referencias:

[1] J. Hernández-Rojas, D. Chakrabarti, D. J. Wales, Phys. Chem. Chem. Phys. 18, 26579 (2016).

[2] D. J. Wales, Energy Landscapes, Cambridge University Press, Cambridge (2003).

**Síntesis y propiedades de clústeres de átomos metálicos sin ligandos protectores **

**Date & location: **Fri 9 Mar** ** 2018 12:30:00 GMT+0200 (CEST), Conference Room, Serrano 121 (CFMAC)

Abstract:En los últimos años se han desarrollado diferentes estrategias de química suave para sintetizar clústeres cuánticos de átomos metálicos (AQCs, atomic quantum clusters), la mayoría de las cuales se basan en el uso de ligandos que enlazan fuertemente (tales como tioles, fosfinas, etc.) con los AQCs, actuando como agentes estabilizantes/protectores para inhibir el crecimiento de los mismos (véase refs. [1]). Sin embargo, la pasivación de los átomos superficiales de los AQCs puede afectar de forma muy notable sus propiedades químico-físicas, tales como catálisis, propiedades biomédicas, etc. En nuestro laboratorio hemos desarrollado la síntesis de AQCs utilizando el control cinético [2] que no precisa el uso de tales ligandos enlazantes (véase refs. [3]) y permite, además, tanto la obtención de muestras de tamaños muy monodispersas como su escalabilidad. Mediante este procedimiento se han sintetizado AQCs desnudos (es decir, sin la presencia de ligandos protectores) y monodispersos de diferentes metales (Au, Ag, Cu,...), con distinto número de átomos (n < ≈ 30), así como estudiado sus propiedades y aplicaciones catalíticas y biomédicas [4]. En la presentación se realizará un breve resumen de los fundamentos de las técnicas de síntesis de AQCs, así como de sus interesantes propiedades (actividades catalíticas, fotocatalíticas y biomédicas), que demuestran que los clústeres metálicos representan una nueva serie de materiales muy estables –térmica y químicamente- y cuyas propiedades difieren completamente de los correspondientes nanomateriales y materiales masivos.

[1] A.C. Templeton et al. Acc.Chem. Res. 33 (2000) 27; P. D. Jadzinsky et al. Science 318 (2007) 430; M. Walter et al. PNAS 105 (2008) 9157; D. Jiang et al. J. Am. Chem. Soc. 130 (2008) 2778.

[2] Y. Piñeiro et al. J. Colloid Interf. Sci. 449 (2015) 279.

[3] A. Ledo-Suárez et al. Angew.Chem, Int. Ed. 46 (2007) 8823; B. Santiago- González et al. Nano Lett. 10 (2010) 4217 ; B. Santiago González et al. Nanoscale 4 (2012) 7632; S. Huseyinova et al. J. Phys. Chem. C 120 (2016) 15902.

[4] N. Vilar- Vidal et al. ACS Catal. 2 (2012) 1693; A. Corma et al. Nat. Chem. 5 (2013) 775; Y. A. Attia et al. J. Am.Chem.Soc. 136 (2014) 1182; D. Buceta et al. Angew. Chem. Int. Ed. 54 (2015) 7612; J. Neissa et al. Chem. Sci. 6 (2015) 6717; M. Cuerva et al. ACS Nano 9 (2015) 10834.

**February **

**Radiobiological effect of secondary electrons and radicals in radiotherapy **

**Date & location: **Wed 28 Feb** ** 2018 12:30:00 GMT+0200 (CEST), Conference Room, Serrano 121 (CFMAC)

Abstract: Ionising radiations have been used for decades in radiotherapy treatments of cancer tumours. The radiobiological effectiveness of these radiations is customary assumed to be proportional to the absorbed dose (energy deposited per mass unit). However, Sanche et al. [1] showed that processes involving low energy secondary electrons, whose contribution to the absorbed dose is negligible, are really efficient breaking DNA bases. A similar role can be assumed for the abundant positive, negative and neutral radicals generated during the irradiation which chemically react with key DNA component leading to bond breaking and molecular dissociations. We will review in this seminar the experimental, theoretical and simulation studies we have carried out in the last few years in order to incorporate the effect of secondary electrons and radicals to the current radiotherapy modelling procedures. In addition, a recent proposal to introduce these effects into the radiobiological effectiveness associated to the new hadrontherapy (proton and heavy ion) techniques will be presented [2, 3].

References:

[1] B. Boudaifa, et al. Science 287 1658 (2000).

[2] Radiation Damage in Biomolecualr Systems, G. García and M. Fuss Editors (Springer, London 2012).

[3] M. Durante, et al. Nature Rev. Clin. Oncol. 14 483 (2017).

**Quantum information tools to manipulate spacetime: Engineering negative stress-energy densities with quantum energy teleportation**

**Date & location: **Wed 21 Feb** ** 2018 15:00:00 GMT+0200 (CEST), Conference Room, Serrano 121 (CFMAC)

Abstract: We show how to use quantum energy teleportation in the light-matter interaction as an operational means to create quantum field states that violate energy conditions and have negative local stress-energy densities. We show that the protocol is optimal in the sense that it scales in a way that saturates the quantum interest conjecture and violates energy conditions maximally. We will briefly discuss the backreaction of this protocol on spacetime curvature, and the gravitational properties of the negative energy density created with this process.

**Quantum simulation of molecular vibronic spectrum and quantum Rabi model with trapped ion system.**

**Date & location: **Wed 08 Feb** ** 2018 12:00:00 GMT+0200 (CEST), Meeting Room, Serrano 113-bis (IFF)

Abstract:In the quite near future, a quantum computer capable of handling 50-100 qubits would be expected to be developed. Such quantum computer is large enough to be impossible to be simulated by existing classical computers, but it may not be sufficient to perform the full quantum error correction and to execute Shor algorithms. Therefore, it is an important question at this stage to find something meaningful tasks with such levels of quantum computers. In this seminar, I’d like to show that an analogue quantum simulation can be a promising solution to perform beyond classical computation by discussing two examples of experimental demonstrations that we’ve recently conducted in our simple system.

The first is the quantum simulation of molecular vibronic spectrum lead by Yangchao Shen [1]. This simulation is a modification of the boson sampling algorithm, which is suitable for showing the power of a quantum computer. Thought the boson sampling algorithm is difficult to perform any useful tasks, by modifying the boson sampling protocol we are able to compute the molecular vibronic spectrum [2]. The trapped ion demonstration employs phonons that can deterministically prepared and detected, which would allow us the sampling of vibronic spectrum beyond photonic systems.

The second is the quantum simulation of quantum Rabi model demonstrated by Dingshun Lv [3]. Currently, the realizations of quantum simulation have been mostly limited to spin models. The quantum Rabi model is the most fundamental model that describes the interaction between spin and field. In particular, when the interaction strength is comparable or larger than the field frequency, various exotic phenomena and ground state entanglement can be occurred, which is observed in our trapped ion quantum simulator.

The current experimental demonstrations are limited to small systems, but we expect that as the system grows, it will provide solutions that exceed the existing limitations without the requirement of full quantum error corrections.

[1] Yangchao Shen, et al., Quantum simulation of molecular spectroscopy in trapped-ion device, Chemical Science DOI: 10.1039/C7SC04602B (2018).

[2] J. Huh, et al., Boson sampling for molecular vibronic spectra, Nature Photon. 9, 615 (2015).

[3] Dingshun Lv, et al., Quantum simulation of the quantum Rabi model in a trapped ion, arXiv:1711.00582 (2017).

**January**

**Evidences of halogen bonds in clathrate cages**

**Date & location: **Thu 25 Jan** ** 2018 12:30:00 GMT+0200 (CEST), Conference Room, Serrano 121 (CFMAC)

Abstract: Interest in the physicochemical properties of clathrates stems from its potential applications in energy and environment and open questions in basic science. We have been interested in the nature of intermolecular interactions of halogen clathrates as a result of the extensive spectroscopic studies by the groups of Janda and Apkarian. An outstanding result is the significant blue-shift observed in the ultraviolet- visible spectra of different clathrate phases. Large shift values are characteristic of halogen bonding (XB) and can be understood in simple molecular orbital concepts: the electronic transitions involved to the B and C states promote an electron into the sigma antibonding orbital of the dihalogen which is acting as an acceptor of electron density from an oxygen lone pair leading to a repulsive interaction in the excited state. The smaller blue-shifts in the clathrates have been interpreted as showing that no halogen bonding can occur in the cages since all oxygen lone pairs are tied in hydrogen bonding to maintain the cage structure. In this seminar I will present a theoretical characterization of the interaction of Cl2 and Br2 in 512 and 51262 clathrate cages respectively, based on energy partitioning analysis and a study of the electronic shifts associated with transitions to the main valence bands, and I will discuss the characteristics for halogen bonding in the cages.

References:

R. Hernández-Ramoneda, et al. J. Phys. Chem. A 112 (2008) 89-96.

F.A. Batista-Romero, et al. J. Chem. Phys. 143 (2015) 094305; 146 (2017) 144311; 147, (2017) 154301. D. Ochoa-Resendiz, et al. J. Chem. Phys. 145 (2016) 161104.

**2017**

**December**

**Families of isomers of astrochemical significance**

**Date & location: **Tue 5 Dec** ** 2017 12:30:00 GMT+0200 (CEST), Conference Room, Serrano 121 (CFMAC)

Abstract: Around one-third of all confirmed interstellar molecules observed also had at least one other observable isomer. The interstellar formation of various family members might involve isolated, gas-phase molecules or molecules on the surface of or incorporated

within ice and dust particles. Once formed, disparate structural isomers add complexity to astrochemical models.

Within a given family of structural isomers, it is still an open question as to which members might reasonably be expected to be found in space and therefore should be considered as high priority in astro-spectroscopic investigations or in laboratory

measurements.

We applied a range quantum chemical methods to characterize isomers of following stoichiometry: CHMgN, C2HNO, C4H3N, C3H3N, C2H3NS, and CH2NS+. Thermodynamic and kinetic stability, as well as a possibility of detection by microwave spectroscopy, were discussed. We proposed potential synthetic pathways of CH2NS+ isomers in cold, dense nonturbulent interstellar clouds (like TMC-1). Some of the isomers with C3H3N, C2H3NS stoichiometry were photochemically generated and characterized in a noble gas matrix.

**November**

**Linear-scaling DFT calculations for materials and biomolecules: a selection of recent applications**

**Date & location: **Mon 20 Nov** ** 2017 16:00:00 GMT+0200 (CEST), Conference Room, Serrano 121 (CFMAC)

Abstract: First-principles quantum mechanical calculations based on Density Functional Theory (DFT) are free of empirical parameters and can thus provide a very accurate description of properties and processes of materials and molecules. However, the computational effort of conventional DFT scales with the third power in the number of atoms and limits the size of the calculations to no more than a few hundred atoms.

To perform DFT calculations with thousands of atoms and enable the study of complex materials we have developed the ONETEP program which is based on a linear-

scaling reformulation of DFT in a way that retains the same high level of accuracy as conventional cubic-scaling methods. I will provide an outline of the ONETEP program and its current capabilities followed by examples of applications ranging from materials and nanoparticles to entire proteins.

References:

K. Skylaris, P. D. Haynes,A. A. Mostofi and M. C. Payne. J. Chem. Phys. 122(2005) 084119.

M.J.S. Phipps, T. Fox, C.S. Tautermann and C.-K. Skylaris. J. Chem. Theory Comput.

13 (2017) 1837.

J. Aarons, L. Jones, A. Varambhia, K. E. MacArthur, D. Ozkaya, M. Sarwar, C.-K. Skylaris,

and P. D. Nellist. Nano Lett. 17 (2017) 4003

**Octubre
**

**Quantum reflection**

**Date & location: **Thu 26 Oct** ** 2017 12:00:00 GMT+0200 (CEST), Conference Room, Serrano 121 (CFMAC)

Abstract: Quantum reflection refers to the classically forbidden reflection of a particle in a classically allowed region without classical turning points, and can take place in the attractive regions of atom-atom and atom-surface interaction potential at near-threshold energy conditions. The nonclassical region of the potential or badlands region is typically located at distances of several hundreds or even thousands of atomic units, where the potentials are well described by van der Waals forces with retardation effects (Casimir-van der Waals tails). In this talk, we analyze experimental quantum reflection probabilities in the scattering/diffraction of several particles (He, Ne, He^{2},...) by a micro-structured grating at grazing angles and very low incident energies.

**Pumping and probing vibrational modulated electronic coherence by quantum dynamics**

**Date & location: **Wed 11 Oct** ** 2017 12:30:00 GMT+0200 (CEST), Meeting Room, Serrano 113-bis (CFMAC)

Abstract:

Electronic excitation of molecules using few femtoseconds or attoseconds optical pulses can build coherentsuperpositions of electronic states. A coherent superposition of electronic typically corresponds to a non-stationary electronic density that moves before the onset of nuclear motion, on the few femtosecond or attosecond timescale. By controlling the parameters of the exciting pulse, it is possible to tailor the non-stationary electron density induced by this pulse. In longer timescale, nuclear motion takes place, and this motion is coupled with the motion of the non-stationary electron density, which opens a way toward control of nuclear dynamics. To achieve this objective, one has to understand how does nuclear motion influences the evolution of the non-stationary electron density by computing the coupled dynamics of electrons and nuclei.In this seminar, I will discuss the coupled electronic-nuclear coherent dynamics induced by a short strong VUV fs pulse in the low lying excited electronic states of HCN probed by transient absorption spectroscopy with a second weaker fs UV pulse.

**Ultrastrong coupling regime of two-photon interactions**

**Date & location: ** Mon 9 Oct** ** 2017 12:00:00 GMT+0200 (CEST), Confrence Room, Serrano 121 (CFMAC)

Abstract: Two-photon processes have so far been considered only as effective models to describe

quantum optical systems subjected to strong classical drivings. In this case, two-

photon interactions (TPI) arise from second- or higher-order effects, and so they are

limited to extremely small coupling strengths. However, a variety of novel physical

phenomena emerges in the strong or ultrastrong coupling regime, where such

coupling values become comparable to dissipation rates or to the system bare

frequencies, respectively. For instance, in the ultrastrong coupling regime of TPI a

spectral collapse [1] can take place, i.e. the system discrete spectrum can collapse in a

continuous band.

In this talk, I will present different schemes to implement TPI using current quantum

technologies and recent theoretical analysis on the physics of such models. First, we

designed a quantum-simulation protocol [2,3] where a trapped-ion system is used to

implement ultrastrong TPI between a chain of qubits and a single bosonic mode. We

analyzed the many-body limit of this system, revealing a rich interplay between the

spectral collapse and the superradiant phase transition [4]. Then, we designed a

superconducting circuit scheme to implement genuine TPI in a solid-state device [5].

An open quantum system analysis shows that fundamental quantum optical

phenomena are qualitatively modified with respect to standard dipolar interactions.

We find that realistic parameters allow to reach the spectral collapse, where extreme

nonlinearities are expected to emerge at the few-photon level.

1. I. Travěnec, Phys. Rev. A 85, 043805 (2012).

2. S. Felicetti, J. S. Pedernales, I. L. Egusquiza, G. Romero, L. Lamata, D. Braak, and E.

Solano, Phys. Rev. A 92, 033817 (2015).

3. L. Puebla, M. Hwang, J. Casanova, M. Plenio, Phys. Rev. A 95, 063844 (2017).

4. L. Garbe, I. L. Egusquiza, E. Solano, C. Ciuti, T. Coudreau, P. Milman, S. Felicetti, Phys.

Rev. A 95, 053854 (2017).

5. S. Felicetti, D. Z. Rossatto, E. Rico, E. Solano, and P. Forn-Díaz, in preparation (2017).

**Junio**

**Interacciones no covalentes entre el cisplatino y prototipos de grafeno**

**Date & location: **Tue 20 Jun** ** 2017 12:00:00 GMT+0200 (CEST), Meeting Room, Serrano 113-bis (CFMAC)

Abstract:

El cisplatino(CP) es un fármaco anti-cáncer ampliamente utilizado desde hace más de 30 años, no obstante sus efectos secundarios adversos asociados a su baja biocompatibilidad y mala especificidad. Por otro lado, últimamente se han desarrollado de manera importante el estudio y diseño de nuevos nanomateriales que permiten trasportar de manera eficiente especies moleculares a blancos biológicos. Por ejemplo el Grafeno (G) y sus derivados han mostrado la capacidad de adsorber eficientemente diversas sustancias biológicas como fármacos, anticuerpos, péptidos, DNA, RNA o genes mediante interacciones no covalentes. La geometría cuadrado plana del CP aunada a su baja solubilidad, sugiere que podría ser un buen candidato para adsorberse físicamente en nanomateriales 2D como el G, mediante la interacción con un sistema p altamente conjugado.

En este trabajo hemos seleccionado al pireno (P) como el prototipo mínimo de G que nos permita de manera eficiente y precisa estudiar las interacciones no covalentes involucradas en la adsorción física del CP. En particular, cálculos de estructura electrónica mediante los métodos “Coupled Second order Möller-Plesset Perturbation Theory (MP2C) y “Density Functinal Theory-Symmetry Adapted (DFT-SAPT) nos permitieron obtener energías de interacción de referencia para el complejo CP-P así como las distintas contribuciones a la energía de interacción total. Se encontró que las configuraciones paralelas son las más estables, debido principalmente a la contribución de dispersión y este comportamiento se asemeja a lo de complejos enlazados mediante interacciones de tipo p-p .

Las energías de interacción de referencia nos permitieron validar la energía calculada mediante diferentes aproximaciones de la DFT (con correcciones de dispersión), que son más asequibles para calcular la interacción del CP con prototipos de grafeno de mayor tamaño. Una vez validado un funcional óptimo se utilizó para el cálculo de la energía de interacción del CP con prototipos que van desde el coroneno(C24H12) y ovaleno(C32H14) hasta C150H30.

La optimización de la geometría y el relativo cálculo de frecuencias, junto con una extrapolación adecuada permitieron estimar la entalpía de adsorción del CP en G a 298 K y 1 bar, obteniendo un valor particularmente favorable (alrededor de -20 kcal-mol-1) siendo prácticamente el doble del estimado en la correspondiente adsorción del benceno.

**Non-ergodicity in many body systems and disordered random graphs; application to the phase diagram Josephson junction chain**.

**Date & location: ** Tue 13 Jun** ** 2017 12:00:00 GMT+0200 (CEST), Meeting Room, Serrano 113-bis (CFMAC)

Abstract: At very high disorder a generic closed quantum system becomes completely localized. I argue that this (many body) localization is preempted by a wide regime of non-ergodic behavior that displays a number of unusual properties. A good system to study these effects are Josephson junction arrays in a somewhat unusual regime. In the main part of the talk I will discuss the localization of single particles on random regular graphs that provide a toy model capturing the main physics of the many body localization. I will develop a simplified analytical theory of the non-ergodic phase in this models that extends the approach developed in the work of Abou Chakra, Thouless and Anderson and compare the results with the direct numerical simulations.

**Mayo
**

**Date & location: ** Fri 12 May** ** 2017 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: We revisit the analytic number theory of factoring numbers N=xy, product of two primes, in order to build a new approach suitable for statistical analysis. This is readily translated to the physics of a system in two dimensions with bound trajectories. After semiclassical quantization we get that the statistics of the energies for these trajectories lead to the statistics of the primes pi (x) < pi ( sqrt N). The result is fully equivalent to obtaining the prime factors of N from the quantum theory of this simulator in a way entirely alternative to Shor's algorithm.

Finally we advance the result that this quantum system can be experimentally implemented and show our proposal for the experimental setup.

**Multifractal metal in a disordered Josephson Junctions Array**

**Date & location: ** Fri 05 May** ** 2017 12:00:00 GMT+0200 (CEST), Meeting Room, Serrano 113-bis (CFMAC)

Abstract: We show that quantum chaotic dynamic may not result in thermalization in certain bosonic models that can be realized as an array of Josephson junctions. This model exhibits a many-body localization transition which separates insulating and metallic phases. Localization prevents the system to thermalize in the insulating phase. We show that there is a intermediate region in the phase diagram, between Many-Body localized and ergodic phases, in which the system behaves as a metal but it is not described by the laws of Statistical Mechanics.

**Probing quantum correlations with multiple atomic impurities**

**Date & location: **Thu 04 May** ** 2017 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: Experimental advances in the control and measurement of quantum systems are driving the development of quantum technologies across multiple experimental platforms, from trapped ions and cold atoms, to superconducting circuits and nanomechanical setups [1]. Among the most promising practical applications of these devices lies quantum-enhanced sensing, where individual or quantum-correlated particles are used to accurately measure observables, from magnetic fields to gravity. Extending this paradigm, recent work has highlighted the potential of single quantum systems to probe strongly-correlated quantum systems [2].

In this talk, I will present a quantum protocol that uses multiple atomic impurities to measure N-point correlations in strongly-correlated quantum systems [3], and discuss ongoing experimental efforts at Oxford to implement it with a two-species cold-atom setup [4].

[1] G. Kurizki et al., PNAS 110, 3866-3873 (2014); K. Bongs et al., Proc. SPIE 9900, 990009 (2016).

[2] See, e.g., D. Hangleiter et al., Phys. Rev. A 91, 013611 (2015); T.H. Johnson et al., Phys. Rev. A 93, 053619 (2016).

[3] M. Streif, A. Buchleitner, D. Jaksch & J. Mur-Petit, Phys. Rev. A 94, 053634 (2016).

[4] E. Bentine et al., J. Phys. B 50 094002 (2017).

**Abril**

**Huygens principle and Dirac equation**

**Date & location: **Tue Apr** **25 2017 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: Every point on the wave front of a propagating wave is a source of secondary wavelets, which spread forward at the same speed as the source wave. The wave front at later times is then given by the surface tangent to the secondary wavelets. This principle was proposed by Christiaan Huygens in 1678, to explain the laws of reflection and refraction. It was used again more than a century later, in 1816, by Augustin-Jean Fresnel, to intepret the diffraction effects that occur when visible light encounters slits, edges and screens.

**New insights into metallic nanoparticles for enhancement of particle therapy in hypoxic tumors**

Marta Bolsa (Institut des Sciences Moléculaires d’Orsay, CNRS)

**Date & location: **Wed Apr** **19 2017 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: Low oxygen concentration in tumors results in lower cell death after exposure to radiation. The oxygen effect is expressed by the Oxygen Enhancement Ratio (OER) which depends, among others, on the oxygen level and the linear energy transfer (LET) of the radiation. Particle therapy benefits the treatment of hypoxic tumors compared to radiotherapy due to a decrease of OER when LET increases [Scifoni et al., 2013]. However, the irradiation of healthy tissues at the entrance channel remains a major limitation.

Nanotechnology brought new perspectives of using high-Z nanoparticles (NPs) to increase local radiation-effect. Previous studies performed by the group demonstrated that the radio-enhancement due to PtNPs is mostly related to the production of water radicals (OH) produced in the vicinity of the NPs [Porcel et al., 2010]. In parallel, it has been observed that the contribution of OH-mediated cell damage is strongly influenced by the presence of oxygen [Hirayama et al., 2013].

In the collaborative works performed at the Heavy Ion Medical Accelerator in Chiba (HIMAC, Japan) and at GSI-HIT (Germany), we investigated the effect of metallic NPs on human cancer cells incubated in oxic and hypoxic conditions and irradiated by carbon and helium ions. We have studied the variation of alpha and beta parameters in the presence of NPs. The presence of NPs might increase the direct lethal damage. This first study shows an attenuation of the amplification effect by NPs in the absence of oxygen. This gives new insights in the processes involved in the radio-enhancement by NPs.

This work is part of the European Commission Framework 7 Programme (grant number EC FP7 MC - ITN - 608163 – ARGENT) (www.itn-argent.eu).

**Decoherence produced by spin bath**

Erik Torrontegui (IFF, CSIC)

**Date & location: **Tue** **Apr 18 2017 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: Any quantum system is never isolated and represents an open system. As result, the environment that surrounds the system introduces decoherence spoiling its quantum properties. Employing an alternative formalism to study open quantum systems, the Stochastic Surrogate Hamiltonian, we analyze dissipation and dephasing processes produced by a spin bath. For dissipation, we show that the Stochastic Surrogate Hamiltonian enables the simulation of thermalization beyond the weak and Markovian regimes. For dephasing, the relation with temperature is studied, showing that the effect depends on the dephasing mechanism itself.

Refs:

[1] E. Torrontegui and R. Kosloff, New J. Phys. 18, 093001 (2016).

[2] R. Baer and R. Kosloff, J. Chem. Phys. 106, 21 (1997).

[3] G. Katz, M. A. Ratner, and R. Kosloff, J. Phys. Chem. C 118, 21798 (2014).2017

**Marzo
**

**Agregados de agua en nanoestructuras de carbono**

José Bretón (Departamento de Física, Universidad de la Laguna)

**Date & location: **Wed Mar** **22 2017 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: En este Seminario presentamos un estudio teórico sistemático de las configuraciones de mínima energía que presentan pequeños agregados de agua (de hasta 20 moléculas) en interacción con nano estructuras formadas básicamente por átomos de carbono. Las nanoestructuras de carbono que se analizan son: hidrocarburos policíclicos aromáticos, como el coroneno y el coranuleno, grafeno y grafito, fulerenos y nanotubos de carbono. Para estos dos últimos también presentamos los efectos asociados al confinamiento de estos agregados de agua en el interior de las cavidades huecas asociadas a estas estructuras.Todos estos estudios pretenden contribuir a la comprensión de los fundamentos nanoscópicos de la hidrofobicidad de la interacción agua-estructuras de carbono.

**Classical and semiclassical energy conditions
**

Prado Martín Moruno (Departamento de Física Teórica I, Universidad Complutense de Madrid)

**Date & location: **Tue** **Mar 21 2017 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: The standard energy conditions usually associated to general relativity are (mostly) linear in the stress-energy tensor, and have clear physical interpretations in terms of geodesic focussing, but suffer the significant drawback that they are often violated by semi-classical quantum effects. In contrast, it is possible to develop non-standard energy conditions that are intrinsically non-linear in the stress-energy tensor, and which exhibit much better well-controlled behaviour when semi-classical quantum effects are introduced, at the cost of a less direct applicability to geodesic focussing. In this talk I will review the standard energy conditions and their various limitations. Then, I will briefly introduce the averaged energy conditions, and present in detail the nonlinear and the semi-classical energy conditions.

**Edge transport over sub-millimeter distance in the 2D Topological Insulator InAs/GaSb
**

Enrique Díaz (Departamento de Física Fundamental, Universidad de Salamanca)

**Date & location: **Fri** **Mar 14 2017 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: The InAs/GaSb double quantum well (DQW), a tunable two dimensional (2D) electron-hole system, was recently proposed as a 2D topological insulator (TI) [1]. While convincing evidence for transport by edge states in micrometer-sized devices has been reported in several experiments [2, 3, 4], the topological origin of these transport properties is still under debate [5]. In the present work we test the transport by edge states in several DQW’s with diferrent sizes InAs/GaSb to cover from normal insulator (NI) and TI samples up to unprecedented length scales and high magnetic fields. First of all, we address the low-temperature electrical transport in a local measurement configuration (Fig.1 (a)), both in zero-field and in the integer quantum Hall regime (Fig.1 (c)), with the latter indicating the realization of a non-trivial system [6]. Successively, making use of non-local transport measurements (Fig.1 (b), (d)), we consistently find evidence for transport by edge states over sub-millimeter distances, as tested using the methodology of Refs.[2, 3] and applying a resistor network model analogous to the one of Ref.[4]. Under high magnetic fields (up to B = 30 T), we detect persistent transport by edge states, with a clear suppression of backscattering in the case of perpendicular orientation. We analyse the response of the edge states to systematic inversions of the current contacts and/or of the polarity of the magnetic field. Many-body interactions can produce exotic novel ground states in these systems. An interacting electron and hole can spontaneously form excitons, i.e. a neutral bound state provided that the exciton binding energy exceeds the energy separation between the single particle states.

References

[1] C.X. Liu, T.L Hughes, X.L. Qi, K. Wang and S.C Zhang, Phys. Rev. Lett. 100, 236601 (2008). [2] K. Suzuki, Y. Harada, K. Onomitsu, and K. Muraki, Phys. Rev. B 87, 235311 (2013). [3] K. Suzuki, Y. Harada, K. Onomitsu, and K. Muraki, Phys. Rev. B 91, 245309 (2015).

[4] S. Mueller et al:, Phys. Rev. B 92, 081303(R) (2015).

[5] F. Nichele et al:, arXiv:1511.01728.

[6] B. Büttner et al:, Nature Phys. 7, 418 (2011).

**Not so normal modes
**

J. Gonzalo Muga (Dpto. de Química-Física, UPV/EHU )

**Date & location: **Mon** **Mar 06 2017 16:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: I will present the theory of time-dependent point transformations to find independent dynamical normal modes for two-dimensional systems subjected to time-dependent control in the limit of small oscillations. The condition that determines if the independent modes can indeed be defined is identified, and a geometrical analogy is put forward. The results explain and unify recent work to design fast operations on trapped ions, needed to implement a scalable quantum-information architecture: Transport,expansions, and the separation of two ions,two-ion phase gates, as well as the rotation of an anisotropic trap for an ion, are treated and shown to be analogous to a mechanical system of two masses connected by springs with time-dependent stiffness.

REF: PRA 95 022130 (2017)

**Febrero**

**Quantum walks gravity simulation
**

Giuseppe di Molfetta (Laboratoire d'Informatique Fondamentale, CNRS/Université Aix-Marseille )

**Date & location: **Fri** **Feb 24 2017 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: As we know, spacetime is not flat at the cosmological scale. In order to describe spacetime, in General Relativity theory (GR), we need a continuous and differentiable manifold and a formal way to account for the continuous distortion of the metrics. The main point is that changing coordinate systems should not affect physics laws (General Covariance). However at the Planck length, matter is not continuous and obeys Quantum Theory (QT). Although one century has passed, finding an intrinsically discrete counterpart of GR is still an open question. In fact, discretized GR does not turn out in just a mere finite difference scheme of the old formula.

I recently showed that one way to describe a discrete curved spacetime is by using Quantum Walks. From a physical perspective a QW describes situations where a quantum particle is taking steps on a discrete grid conditioned on its internal state (say, spin states). The particle dynamically explores a large Hilbert space associated with the positions of the lattice and allows thus to simulate a wide range of transport phenomena.

It is surprising that this unitary and local dynamics, defined on a rigid space-time lattice coincides in the continuous limit with the dynamical behavior of a quantum spinning-particle spreading on a curved spacetime. This could really turn out to be a powerful quantum numerical method to discretize GR.

**Quantum optics in low dimensions: from fundamentals to applications**

Alejandro González Tudela (Max-Planck-Institut für Quantenoptik)

**Date & location: **Fri** **Feb 10 2017 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: Recent experimental developments in nanophotonics [1], circuit QED [2] and cold atoms [3] allow to engineer systems where quantum emitters couple to low dimensional photon-like reservoirs with non-trivial energy dispersion. Compared to three-dimensional and structureless baths, the interactions induced by such structured environments can be strongly enhanced and have long-range character.

In this talk, I will show several phenomena that can emerge in these scenarios such as the existence of multi-photon bound states around single quantum emitters [4], the generation of tuneable long-range coherent interactions [5], or how one can boost the fidelities and efficiencies of non-classical states of light [6].

[1] Nature 508, 241–244 (2014), Nature Communications 5, 3808 (2014), Rev. Mod. Phys. 87, 347 (2015)

[2] Nature Physics 13 (1), 48-52 (2017)

[3] Nature Physics 8, 267–276 (2012),Physical Rev Lett. 101 (26), 260404 (2010)

[4] Physical Review X 6 (2), 021027 (2016)

[5] Nature Photonics 9 (5), 320-325 (2015), PNAS, 201603777 (2016)

[6] Physical Review Letters 115 (16), 163603 (2015), New Journal of Physics 18 (4), 043041 (2016) arXiv:1603.01243

**Enero**

**Anomalies (in) matter
**

Karl Landsteiner (IFT, UAM-CSIC)

**Date & location: **Tue** **Jan 24 2017 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: The concept of symmetry is one cornerstone of modern theoretical physics, quantum mechanics is another. Sometimes they are incompatible with each other. These incompatibilities are called anomalies.

They constrain possible fermion spectra of gauge theories and explain otherwise forbidden processes such as the decay of the neutral pion into two photons. In the recent years however anomalies play an ever bigger role in a totally different realm of physics: condensed matter. In particular anomalies induce exotic new transport phenomena such as the chiral magnetic and the chiral vortical effects.

I will review of chiral anomalies, anomaly induced transport phenomena and discuss some of its applications in a new exciting class of materials: the Weyl semimetals.

**Machine Intelligence and quantum information processing**

Peter Wittek (ICFO)

**Date & location: **Fri** **Jan 13 2016 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: Statistical learning theory is rich in results that changed the way we process and think about data. Furthermore, the theory offered a fresh perspective on artificial intelligence. Applications are countless and much progress has been made in applying learning schemes in quantum control problems. Quantum information processing and quantum computing are the next frontier for machine learning, but benefits work both ways: quantum-enhanced learning is also a promising research direction, but we must generalize known classical results to the quantum case to fully understand the limits and possibilities. This talk gives an introduction to the core concepts in learning theory, and then looks at the major challenges in the intersection of machine learning, artificial intelligence, and quantum information processing.

**2016**

**Diciembre**

**Epitaxial III-V Quantum Dots for Quantum Optical Information S&T:**

**Pros and Cons**

**Benito Alén** (MBE: Quantum Nanostructures Group (IMM-CSIC))

**Date & location: **Tue** **Dec 13 2016 15:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: Quantum optical experiments performed on single atoms and ions had inspired the rapid development of solid-state Quantum Optical Information S&T. In the study and exploitation of quantum properties of semiconductor nanostructures, much of the state of the art is defined by experiments done with epitaxial III-V quantum dots (QDs). There are many properties of III-V QDs which make them especially appealing compared with other systems. Either stand alone or embedded in optical microcavities, III-V QDs naturally emit single photons and entangled photon pairs in the relevant telecomm spectral ranges [1-4]. Moreover, just as any other semiconductor, they can be electrically driven from a low power battery, both to emit quantum light [5,6] or to manipulate quantum states [7,8].

*These and other proofs of concept make of III-V QDs amenable for highly integrated quantum optical information technologies, yet, to bring expectations to reality, rather important technical and fundamental problems must be solved first. In this talk, I will introduce some of the current challenges in the field and describe how our activities at the MBE: Quantum Nanostructures Group (IMM-CSIC) try to address them [9-10].*

References:

[1] P. Michler et al, «A Quantum Dot Single-Photon Turnstile Device», Science, 290 2282 (2000)

[2] C. Santori et al, «Indistinguishable photons from a single-photon device», Nature 419, 594 (2002)

[3] M. Birowosuto et al, «Fast Purcell-Enhanced Single Photon Source in 1,550-mm Telecom Band from a Resonant Quantum Dot-Cavity Coupling». Scientific Reports 2, 321 (2012)

[4] J. Kim et al «Two-Photon Interference from a Bright Single-Photon Source at Telecom Wavelengths». Optica 3, 577 (2016)

[5] Z. Yuan et al, «Electrically Driven Single-Photon Source», Science 295, 102, (2002)

[6] C. L. Salter et al, «An entangled-light-emitting diode», Nature 465, 594, (2010)

[7] E. D. Kim et al., «Fast Spin Rotations by Optically Controlled Geometric Phases in a Charge-Tunable InAs Quantum Dot», Phys. Rev. Lett. 104, 167401 (2010)

[8] W. Liu et al., «In situ tunable g factor for a single electron confined inside an InAs quantum dot», Phys. Rev. B 84 121304 (2011)

[9] J. Herranz et al «Role of re-growth interface preparation process for spectral linewidth reduction of single InAs site-controlled quantum dots». Nanotechnology 26 195301 (2015)

[10] J. M. Llorens et al., «Type II InAs/GaAsSb quantum dots: Highly tunable exciton geometry and topology», Applied Physics Letters 107, 183101 (2015)

*Quo vadis, Física? Los límites del conocimiento*

**MIguel Ángel Sanchís Lozano ** (UPV, IFIC/CSIC)

**Date & location: **Thu** **Dec 01 2016 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: Desde el reduccionismo de los antiguos griegos aplicado a la explicación de la complejidad de la Naturaleza, la "navaja de Occam" (la explicación más simple ha de ser la verdadera) y el extraordinario éxito de la ciencia para entender el universo, se ha buscado con ahínco una Teoría de Todo (Theory of Everything) en Física.

En Matemáticas, a principios del siglo XX, Hilbert propuso buscar una base axiomática a partir de la cual, y mediante una serie de argumentos lógicos, se pudiera demostrar la verdad o falsedad de cualquier enunciado matemático bien planteado (es decir un sistema formal, completo y consistente). Los teoremas de incompletitud de Gödel formulados en 1931 (y la posterior aportación de Turing), supusieron echar un inesperado jarro de agua fría a tales aspiraciones.

A finales del siglo XX hubo científicos que creyeron haber encontrado, en la Teoría de Cuerdas, la ansiada Teoría de Todo en Física, con un extraordinario carácter unificador de partículas y fuerzas (aunque de una gran complejidad matemática y formal). Y sin embargo, se ha hallado un conjunto ("landscape") de al menos 10^{500} posibles soluciones, cualquiera de ellas posible, que determinaría un multiverso donde las leyes y constantes físicas pueden tomar prácticamente cualquier valor en los distintos universos.

**Noviembre**

*Edge states at phase boundaries and their stability*

**Juan Manuel Pérez Pardo ** (Dpto. Matemáticas, UC3M)

**Date & location: **Wed** **Nov 30 2016 15:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: Quantum field theories can be used to construct effective modells to describe condensed matter systems. One of the main differences between condensed matter systems and fundamental particle physics is that, in the former, the materials where the effective field theory lives are of finite size and have boundaries. This difference is crucial and brings extra features like the appearance of edge states.

*Modifications of molecular structure and reactions under strong*

*light-matter coupling*

**Johannes Feist ** (Dpto. Física Teórica de la Materia Condensada, UAM)

**Date & location: **Tue** **Nov 22 2016 15:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: Strong coupling is achieved when the coherent energy exchange between a confined electromagnetic field mode and material excitations becomes faster than the decay and decoherence of either constituent. This creates a paradigmatic hybrid quantum system with eigenstates that have mixedlight-matter character (polaritons). Organic molecules are a particularly useful system to achieve strong coupling at room temperature, since they possess excitons (bound electron-hole pairs) with large transition dipole moments and binding energies.

While most models of strong coupling are based on two-level systems, this is far from a realistic description for molecules with many nuclear (rovibrational) degrees of freedom. The influence of strong coupling on these internal degrees of freedom has only come into focus recently.

Pioneering experiments have shown modifications of material properties and chemical reaction rates under strong coupling, which cannot be explained by simple two-level models. In order to address this mismatch, we developed a first-principles model combining the tools of cavity QED with well-known molecular models in order to fully take into account electronic, nuclear and photonic degrees of freedom.

I will first discuss the applicability of the Born-Oppenheimer approximation, which is challenged by the introduction of the new intermediate timescale of energy exchange between the molecule(s) and the field. We then show how photochemical reactions such as photoisomerization can be almost completely suppressed under strong coupling. Surprisingly, this suppression works more efficiently when many molecules are coupled to a single light mode due to a “collective protection” effect within the delocalized polaritonic state.

**Octubre**

*Dissipative long-range entanglement generation between electronic spins*

**Mónica Benito ** (Instituto de Ciencias Materiales de Madrid, CSIC)

**Date & location: **Fri** **Oct 28 2016 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: We propose a scheme for deterministic preparation of steady-state entanglement between remote qubits, defined by electron spins confined in spatially separated quantum dots. Our approach relies on an electronic quantum bus, consisting either of quantum Hall edge channels or surface acoustic waves, that can mediate long-range coupling between localized spins over distances of tens of micrometers. Since the entanglement is actively stabilized by dissipative dynamics, our scheme is inherently robust against noise and imperfections.

*Symmetry-Protected Heat Transport in Quantum Hall Physics*

**Ángel Rivas** (Dpto. de Física Teórica I, UCM)

**Date & location: **Wed** **Oct 19 2016 15:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: The study of non-equilibrium properties in topological quantum systems is of practical and fundamental importance. Here, we will discuss stationary properties of a two-dimensional boson topological insulator coupled to two thermal baths in the quantum open-system formalism [1]. Novel phenomena appear like chiral edge heat currents that are the out-of-equilibrium

counterparts of the zero-temperature edge currents. A new set of discrete symmetries protect these topological heat currents, differing from the zero-temperature limit, and with a purely dissipative origin. Remarkably, one of these currents flows opposite to the decreasing external temperature gradient. As the starting point, we will review some basics about quantum Hall physics and consider the case of a single external reservoir showing prominent results like thermal erasure effects and topological thermal currents. Finally we will comment about the possibility to experimentally observe these new phenomenology with platforms like photonics chips and

optical lattices.

[1] A. Rivas and M. A. Martin-Delgado, Topological Heat Transport and Symmetry-Protected Boson Currents, arXiv:1606.07651

**Septiembre**

*Zero-Mode Rotating Surface States in 3D Dirac and Weyl Semimetals under Radiation*

**Rafael Molina **(Instituto de Estructura de la Materia, CSIC)

**Date & location: **Wed** **Sep 28 2016 15:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: Topological semimetals are exciting new materials whose discovery became possible thanks to the refined understanding of exotic phenomena in topological band theory. We investigate the development of novel surface states when 3D Dirac or Weyl semimetals are placed under circularly polarized electromagnetic radiation. We find that the hybridization between inverted Floquet bands opens, in general, a gap, which closes at so-called exceptional points found for complex values of the momentum. This corresponds to the appearance of midgap surface states in the form of evanescent waves decaying from the surface exposed to the radiation. We observe a phenomenon reminiscent of Landau quantization by which the midgap surface states get a large degeneracy proportional to the radiation flux traversing the surface of the semimetal. We show that all of these surface states carry angular current, leading to an angular modulation of their charge that rotates with the same frequency of the radiation, which should manifest in the observation of a macroscopic chiral current in the irradiated surface.

Reference:

J. González, R.A. Molina, PRL 116, 156803 (2016).

*Polaritons: classical and/or quantum aspects*

**Fabrice P. Laussy** (Dpto. de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid)

**Date & location: **Wed** **Sep 14 2016 15:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Abstract: Polaritons arise as the eigenstates of light-matter coupling hamiltonians (1). They have enjoyed considerable attention since their discovery in 1992, since they bring together solid state, condensed-matter, atomic and cavity QED physics. Interest has been growing exponentially with subsequent reports of their Boseâ€“Einstein condensation in (Nature 2006), of their superfluid propagation (Nature 2009), of their quantum-hydrodynamics and solitonic attributes (2010-2012), and, more recently, exotic phases, band-engineering, exceptional points (Nature 2015) and other topological features. They are a fantastic playground for theorists and experimentalists alike allowing a wide breadth of exploration in a variety of topics. In this talk, I will survey some of the most striking polaritonic feasts and review the efforts to bring them down to the single-particle quantum regime, culminating with our recent announcement of polariton entanglement (2). I will also take advantage of this system to present our proposal of quantum spectroscopy, based on sweeping continuously varying quantum statistics from a quantum source driving a target (3).

(1) Microcavities, Kavokin et al., Oxford University Press 2011

(2) Entangling a polariton with one photon: effect of interactions at the single-particle level, Cuevas et al., arXiv:1609.01244

(3) Exciting Polaritons with Quantum Light, López Carreño et al., Phys. Rev. Lett. 115:196402 2015

**Julio**

**Simulating spin-boson models with trapped ions**

**Andreas Lemmer **Institute of Theoretical Physics, University of Ulm (Germany)

**Date & location: **Fri** **Jul 22 2016 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

The spin-boson model considers a single spin coupled to a bath of harmonic oscillators. It is a paradigmatic model for the emergence of dissipation and decoherence in quantum systems. Although the model is seemingly simple, no closed analytic solution is known to date. On the other hand, a number of numerical methods have been developed to study the dynamics of spin-boson models. However, also numerics are challenged for environments that lead to highly non-Markovian dynamics, e.g. highly structured environments with longlived vibrational modes. Therefore a physical simulator with a high degree of control is desirable.

Trapped atomic ions provide a clean and highly controllable system where dynamical quantities are directly accessible. In this talk I will present a method to simulate the dynamics of spin-boson models with macroscopic and

non-Markovian environments with trapped ions.

**Machine Learning: Between the hype and the new possibilities**

**Emilio Alba** CTO of Quantum Bussiness Analytics

**Date & location: **Wed** **Jul 06 2016 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Machine Learning is at the forefront of a renewed interest in (big) data analytics and statistical analysis. In this talk we try to briefly describe what it is, make the case for its increasing role in technological applications, and open a discussion on its bright and dark effects on physics as a whole - and the realm of Quantum Information/Simulations in particular.

**Junio**

*Quantum simulation with a boson sampling circuit*

**Diego González Olivares**, Instituto de Física Fundamental (CSIC)

**Date & location: **Wed** **Jun 29 2016 15:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

*Chiral Quantum Optics with Spins, Photons, and Phonons*

**Tomás Ramos**, Institute for Theoretical Physics, University of Innsbruck and Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences

**Date & location:**Thu Jun 16 2016 14:30:00 GMT+0200 (CEST), Small Meeting Room, Serrano 121 (CFMAC)

Quantum optics studies the interaction between light and matter on the most fundamental level, namely, as energy exchanges between single photons and single quantum emitters. In the case of an excited atom interacting with the electromagnetic vacuum, this coupling is fundamentally isotropic, leading to a spontaneously emitted photon with no preferred direction. Nevertheless, recent advances in trapping atoms close to nanophotonic waveguides have shown that the strong confinement of light can naturally lead to situations in which excited atoms decay asymmetrically into left- and right-moving photons along the waveguide. This directional light-matter interaction has been recently called ‘chiral’, and opens fascinating perspectives for realizing directional quantum networks with photons as quantum information carriers, as well as novel many-body quantum phases of light and matter. In this context, we study the implications of chiral interactions on the driven-dissipative dynamics of many quantum emitters coupled via a one-dimensional waveguide. In particular, we determine how the interplay between coherent drive, chiral interactions and collective decay can lead a chain of two-level atoms to a steady state that is pure and multi-partite entangled, which can be interpreted as a novel non-equilibrium magnetic phase of matter. In addition, we propose various purely atomic realizations of this model, where not only the emitters but also the waveguides are realized with atomic degrees of freedom such as Rydberg atoms, trapped ions, or Bose condensed atoms. Therefore, instead of photons, phonons or spin excitations mediate the chiral interactions, giving a high degree of control over the resulting open many-body dynamics for the emitters. These engineered atomic setups also provide a route to controllably access physics beyond the Markovian quantum optics paradigm. For instance, using modern many-body numerical methods, we include the full dynamics of the atomic waveguide on the same footing as the emitters and thereby describe non-Markovian effects such as retardation in the exchange of excitations between emitters and non-linear dispersive effects. On the other hand, the same framework allows for the realization of `on-chip’ chiral quantum networks, which we illustrate with basic building blocks for quantum information applications, such as state transfer protocols or time-reversal of wave-packets.

*Majorana bound states from exceptional points in non-topological superconductors*

**Ramón Aguado,**Instituto de Ciencia de Materiales de Madrid (ICMM), CSIC)

**Date & location**: Mon Jun 06 2016 12:00:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

*Entropy/information flux in Hawking radiation*

**Ana Alonso Serrano,**Instituto de Física Fundamental (IFF, CSIC)

**Date & location**: Wed Jun 01 2016 15:30:00 GMT+0200 (CEST), Seminar Room, Serrano 121 (CFMAC)

Blackbody radiation contains (on average) an entropy of 3.9+-2.5 bits per photon. This applies not only to provervial case of “burning a lump of coal”, but also to the Hawking radiation from black holes. The flip side of this observation is the information budget: If the emission process is unitary, as it certainly is for normal physical burning, then this entropy is exactly compensated by the “hidden information” in the correlations. We shall now extend this argument to the Hawking radiation from black holes, demonstrating that the assumption of unitarity leads to a perfectly reasonable entropy/information budget. The key technical aspect of our calculation is the “average subsystem” approach, but applied to a tripartite pure system consisting of the (black hole)+(Hawking radiation)+(rest of the universe).