Virtual Winter School on Computational Chemistry

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Winterschool 2019 - Program

5-7 February 2019

Jiri Vanichek, École Polytechnique Fédérale de Lausanne , Switzerland: Ab initio semiclassical dynamics for vibrationally resolved electronic spectroscopy (log in to view recording)

Roland Assaraf, UMR7616 UPMC Sorbonne Université  & CNRS, France: Quantum Monte Carlo methods for quantum chemistry, towards improving their numerical scaling (log in to view abstract)

Mark E. Casida, Université de Grenoble, France: The Role of Philosophy in Density-Functional Theory (DFT) and in Time-Dependent (TD) DFT

Frank Neese, Max-Planck Institut für Kohlenforschung, Germany: Using a combination of spectroscopy and quantum chemistry to solve chemical problems (log in to view abstract)

SFP Presentations (log in to view recordings)

Michelle Coote, Australian National University, Australia: Catalyzing and Controlling Chemical Reactions with Electric Fields(log in to view abstract)

SFP Winner Labanya Bhattacharya, Indian Institute of Technology, India: Incorporation of electron withdrawing groups in donor-acceptor conjugated copolymer backbones towards improved photovoltaic performance (log in to view abstract)

SFP Presentations (log in to view recordings)

SFP Winner Sergio Pérez-Conesa, Spain: Molecular dynamics of aqueous [uo2]2+ diffusion in clays (log in to view abstract)

SFP Winner Joakim Halldin Stenlid, Sweden: Regium Bonding Characterized by the Molecular Surface Property Approach (log in to view abstract)

Dominika Zgid, University of Michigan, USA: Green's function embedding methods (log in to view abstract)

James Gauld, University of Windsor, Canada: Computational Enzymology: A Practical Guide(log in to view abstract)

SFP Presentations (log in to view recordings)

Benedetta Mennucci, University of Pisa, Italy: Modeling environment effects in quantum chemistry (log in to view abstract)

Anthony Scemama, IRSAMC, Université Paul Sabatier Toulouse III & CNRS, France: IRPF90 : a Fortran code generator for HPC (log in to view abstract)

Shirin Faraji, University of Groningen, The Netherlands: Excited-state quantum dynamics and its theoretical challenges.