2024 Speakers and Talks

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SpeakerSession TitleTime
Day 1 - Monday - 29th Jan 2024
Prof. Dr. Feliu Maseras
Institute of Chemical Research of Catalonia (ICIQ), The Barcelona Institute of Science and Technology (BIST), Tarragona
Beyond free energy profiles: Microkinetic modeling and other tricks 09:00 CET
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 11:00 CET
SFP Session 1 14:00 CET
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 15:00 CET
Prof.Dr. Angela K. Wilson
Michigan State University, Department of Chemistry
Computational Chemistry Modeling Strategies: Moving Beyond Main Group Chemistry 17:00 CET
Day 2 - Tuesday - 30th Jan 2024
SFP Session 2 08:00 CET
Prof.Dr. Mario Barbatti
Aix Marseille University, CNRS, ICR
Framing Molecules in the Core Theory 09:00 CET
Dr. Janka Mátrai
European Research Council
Dr. Balázs Pinter
European Research Council
Ask ERCEA officers: a roundtable discussion on career development and ERC funding opportunities 11:00 CET
Prof. Dr. Oldamur Hollóczki
Debreceni Egyetem, Természettudományi és Technológiai Kar
Using molecular modeling to uncover nanoplastics-biomolecule interactions 13:00 CET
Prof.Dr. Benoît Champagne
Theoretical Chemistry Laboratory, Namur Institute of Structured Matter, University of Namur
Quantum chemistry methods for predicting nonlinear optical responses of molecules 15:00 CET
Panel discussion 1 19:00 CET
Day 3 - Wednesday - 31st Jan 2024
SFP Session 3 10:00 CET
Prof. Dr. Renana Gershoni-Poranne
Technion—Israel Institute of Technology
A Journey to the Land of Polycyclic Aromatic Systems 11:00 CET
Prof. Dr. Emmanuel Fromager
Laboratoire de Chimie Quantique de Strasbourg
Density matrix embedding theory: A one-electron reduced density matrix functional perspective 15:00 CET
Prof. Erin R. Johnson
Department of Chemistry, Dalhousie University
Requirements for an Accurate Dispersion-Corrected Density Functional 17:00 CET
SFP Session 4 19:00 CET
Day 4 - Thursday - 1st Feb 2024
Panel discussion 2 11:30 CET

Q-Chem Workshop

  • 45 Minutes: Overview & Introduction To Q-Chem — Martin Head-Gordon
  • 40 Minutes: Introduction to IQmol — Andrew Gilbert
  • 40 Minutes: Spectroscopy Toolkit — Anna Krylov
  • 40 Minutes: Energy Decomposition Analysis — Yuezhi Mao
  • 15 Minutes: Closing Remarks/Q&A Session — Q-Chem Team
21:00 CET
Day 5 - Friday - 2nd Feb 2024
BigDFT Workshop 09:00 CET

2 thoughts on “2024 Speakers and Talks”

  1. Tuesday, 30 January 2024 19:15

    Am yet to get the link for the zoom meeting 

    1. Tuesday, 06 February 2024 20:00

      Have you got the winter school certificate?