Symposium S06 on “Synergies between computational and experimental chemistry” at XXXVII Biennial Meeting of RSEQ

Workshops

When
2019/05/27
Place
Kursaal, Donostia / San Sebastián
Organizers
J. Ugalde (DIPC)
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Symposium S06 on “Synergies between computational and experimental chemistry” at XXXVII Biennial Meeting of RSEQ

May 27, 2019
Kursaal, Donostia / San Sebastián

The symposium is part of the XXXVII Biennial Meeting of the Spanish Royal Society of Chemistry, to be held in Donostia / San Sebastián from May 26 to May 30, 2019 (http://bienal2019.com/)

Computational chemistry is a well-established discipline that has a fundamental role nowadays in the development, study and optimization of many chemical, physical and biological processes. The use of theoretical and computational models for the study of the properties of new materials, reaction mechanisms of catalytic reactions and in processes related to the chemistry of life, is nowadays a useful and transverse tool in many areas of chemical science. In this symposium we will focus on different relevant and state-of-the-art aspects of applied computational chemistry. One session will be devoted to each of the following fields:


- Frontiers in Molecular Structure Theory
- Reaction Mechanisms & Catalysis
- Materials Chemistry & Design
- Computational Biochemistry
- Excited State Chemistry

 

SYMPOSIUM COORDINATORS

- Jesus M. Ugalde. University of the Basque Country (Donostia-San Sebastián, Spain)

- Iñaki Tuñón. University of Valencia (Spain)

 

INVITED SPEAKERS

- Fahmi Himo. Quantum Chemical Modeling of Mechanisms and Selectivities in Homogeneous Catalysis. Stockholm University (Sweden)

- David de Sancho. Synergy between theory, simulation and experiment for single-molecule protein folding. EHU/UPV – DIPC (Spain)

- Juan-Carlos Sancho-García. Developing and Benchmarking New DFT Methods for Challenging Chemical Systems. University of Alicante (Spain)

- Dimitra Markovitsi. Absorption of low energy UV radiation by DNA: excited states and reactivity. University Paris-Saclay CNRS (France)

- Barbara Kirchner. Chemically active domains of liquids. University of Bonn (Germany)