Quantum Chemistry Archivos - Instituto De Física Fundamental

Seminario IFF 2022 “Elucidation of Size – Composition and Support Effects in Catalysis by Atomically Precise Subnanometer Clusters” por Dr. Stefan Vajda

Marcelo Castellanos2022-09-16T18:01:26+02:00Tags: quantum chemistry, quantum simulation|

El IFF-CSIC continúa su ciclo de seminarios con esta charla del Dr. Stefan Vajda (Department of Nanocatalysis, J. Heyrovsky Institute of Physical Chemistry, Prague, Czech Republic) que se celebrará el miércoles 14 de septiembre en la Sala de Conferencias de Serrano 121 a las 12.00 h sobre el potencial de tunear la actividad catalizadora y selectividad [...]

Seminario IFF 2022 “High Resolution, Thermal Infrared Spectroscopy in the age of JWST”, por Dr. Matthew Richter

Marcelo Castellanos2022-04-18T10:40:49+02:00Tags: quantum chemistry, quantum simulation|

El IFF-CSIC continúa su ciclo de seminarios con esta charla del Dr. Matthew Richter (Department of Physics, University of California, Davis, USA) que se celebrará este lunes 18 de abril en la Sala de Conferencias de Serrano 121 a las 12.00 h sobre la importancia de las observaciones de alta resolución espectral en el infrarrojo térmico. [...]

Seminario 2022 “On-the-fly ab initio semiclassical evaluation of vibrationally resolved electronic spectra beyond the Condon and zero temperature approximations”, por Prof. Jiří Vaníček

Marcelo Castellanos2022-04-07T19:13:46+02:00Tags: quantum chemistry, quantum simulation|

El IFF-CSIC continúa su ciclo de seminarios con esta charla del profesor Jiří Vaníček (Laboratory of Theoretical Physical Chemistry, École Polytechnique Fédérale de Lausanne, Switzerland) que se celebrará el próximo viernes 8 de abril en la Sala de Conferencias de Serrano 121 a las 12.00 h sobre el desafío que suponen los espectros electrónicos resueltos vibracionalmente [...]

Subnanometer engineering: from clean catalysts and photocatalysts to new 2D polaronic materials

Marcelo Castellanos2020-11-04T10:20:16+01:00Tags: catalyst, Journal of Chemical Physics, Nanoscience & Nanotechnology; Materials Science, quantum chemistry, Women in Science|

The AbinitSim Unit (IFF-CSIC) is conducting a research to uncover the special properties of the subnanometer-sized metal clusters, a new generation of catalysts and photocatalysts. In the latest work, it is shown how the decoration of perfect and reduced TiO2 surfaces with Ag5 atomic quantum clusters enables the stabilization of multiple surface polarons and then [...]

Seminario “Analogue quantum chemistry simulation using ultra-cold atoms”, por Alejandro González Tudela

Natalia2020-01-21T16:27:40+01:00Tags: quantum chemistry, quantum simulation|

El IFF-CSIC inicia se ciclo de seminarios con la charla de Alejandro González Tudela que se celebrará el próximo miércoles 29 de enero en la Sala de Conferencias de Serrano 121 a las 12.00 h sobre aplicaciones de computación cuántica en física molecular y química cuántica. Analogue quantum chemistry simulation using ultra-cold atoms Obtaining the electronic [...]

“Analogue quantum chemistry simulation using ultra-cold atoms”, Alejandro González Tudela

Natalia2020-01-21T16:23:52+01:00Tags: quantum chemistry, quantum simulation|

Alejandro González Tudela, IFF-CSIC Obtaining the electronic structure of complex molecules is one of the central challenges of quantum chemistry. Unfortunately, like it occurs with other many-body problems, the exponential growth of their Hilbert space makes current methods very limited when describing many electron systems. This is why solving quantum chemistry problems has become one [...]