BigDFT
|
BigDFT workshop |
Abstract |
09:00 CET 02-Feb-24 |
Q-Chem
|
Q-Chem workshop |
Abstract |
21:00 CET 01-Feb-24 |
Prof. Dr. Lubomir Rulíšek
Academy of Sciences of the Czech Republic
Czech Republic |
Proton and Electron Transfer Processes in (Bio)Chemistry: from Acidity Constants (pKa's) and Reduction Potentials to Thermodynamic Fundamentals |
Abstract |
11:00 CET 29-Jan-24 |
Prof. Dr. Feliu Maseras
Institute of Chemical Research of Catalonia (ICIQ), The Barcelona Institute of Science and Technology (BIST), Tarragona
Spain |
Beyond free energy profiles: Microkinetic modeling and other tricks |
Abstract |
09:00 CET 29-Jan-24 |
Prof. Dr. Oldamur Hollóczki
Debreceni Egyetem, Természettudományi és Technológiai Kar
Hungary |
Using molecular modeling to uncover nanoplastics-biomolecule interactions |
Abstract |
13:00 CET 30-Jan-24 |
Prof. Dr. Emmanuel Fromager
Laboratoire de Chimie Quantique de Strasbourg
France |
Density matrix embedding theory: A one-electron reduced density matrix functional perspective |
Abstract |
15:00 CET 31-Jan-24 |
Dr. Janka Mátrai
European Research Council
Belgium
Dr. Balázs Pinter
European Research Council
Belgium |
Ask ERCEA officers: a roundtable discussion on career development and ERC funding opportunities |
Abstract |
11:00 CET 30-Jan-24 |
Dr. Jurgens de Lange
University of Pretoria: Department of Chemistry
South Africa |
Molecular-Wide Chemical Bond Theory: Bridging the Gap Between Atomistic Chemistry and Holistic Physics |
Abstract |
15:00 CET 29-Jan-24 |
Prof.Dr. Angela K. Wilson
Michigan State University, Department of Chemistry
USA |
Computational Chemistry Modeling Strategies: Moving Beyond Main Group Chemistry |
Abstract |
17:00 CET 29-Jan-24 |
Prof. Erin R. Johnson
Department of Chemistry, Dalhousie University
Canada |
Requirements for an Accurate Dispersion-Corrected Density Functional |
Abstract |
17:00 CET 31-Jan-24 |
Prof.Dr. Benoît Champagne
Theoretical Chemistry Laboratory, Namur Institute of Structured Matter, University of Namur
Belgium |
Quantum chemistry methods for predicting nonlinear optical responses of molecules |
Abstract |
15:00 CET 30-Jan-24 |
Prof. Dr. Renana Gershoni-Poranne
Technion—Israel Institute of Technology
Israel |
A Journey to the Land of Polycyclic Aromatic Systems |
Abstract |
11:00 CET 31-Jan-24 |
Prof.Dr. Mario Barbatti
Aix Marseille University, CNRS, ICR
France |
Framing Molecules in the Core Theory |
Abstract |
09:00 CET 30-Jan-24 |
Virtual Winter School on Computational Chemistry
