Winterschool 2023 - Program

06-10 February 2023


Register HERE
Prof. Jack Simons talk is rescheduled to Wednesday at 17:00 CET!!!! 

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Speaker Session Abstract Time
Professor Sonia Coriani
Technical University of Denmark
The Molecular Response to Light: A Wonderful Playground for a Theoretical Chemist Abstract 09:00 CET 06-Feb-23
Dr. Tibor Höltzl
Furukawa Electric Institute of Technology
Computational analysis of nanoscale reactivity: from academics to industry Abstract 11:00 CET 06-Feb-23
Professor Anastassia Alexandrova

Professor Mark Eberhart
Colorado School of Mines
Electric Fields and Charge Density Geometry in Enzymes Abstract 19:00 CET 06-Feb-23
Dr. Sumie Tajima
Hulinks, Inc.
Tokyo, Japan

Dr. Matthew Segall
Optibrium Limited
Cambridge, UK
Deep Learning Imputation – Using AI to Derive Valuable Insights from Drug Discovery Data Abstract 09:00 CET 07-Feb-23
M.Sc. Moola Nyambe
University of Namibia
Molecular Docking Study of Xerantholide and Its Interaction with Neisseria Gonorrhoeae Carbonic Anhydrase Abstract 13:00 CET 07-Feb-23
M.Sc. Shane De Beer
Stellenbosch University
South Africa
Computational Exploration of the Void Space in Solid-State Materials for Chemical Applications Abstract 13:45 CET 07-Feb-23
Associate Professor Frank Jensen
University of Aarhus
Force Fields – A New Beginning? Abstract 15:00 CET 07-Feb-23
Dr. Bernardo de Souza
FAccTs GmbH
How important is to include multiple conformers on simulations? Examples and interesting cases from ORCA’s newest Global Optimizer Algorithm (GOAT) Abstract 17:00 CET 07-Feb-23
Dr. Martina Lessio
University of New South Wales
Modelling Materials and Interfaces Using Density Functional Theory: Basic Principles and Example Applications Abstract 08:00 CET 08-Feb-23
Assistant Professor Stefan Ringe
Korea University
South Korea
Continuum Modelling for First-Principles Computational Electrochemistry Abstract 10:00 CET 08-Feb-23
Dr. Jurgens de Lange
University of Pretoria
South Africa
A Pair of Lonely Electrons in a Crowded Room: Revisiting the Concept of an Electron Lone-Pair Abstract 13:00 CET 08-Feb-23
Professor Gerhard Stock
Albert Ludwigs University, Freiburg
Learning Biomolecular Collective Variables Abstract 15:00 CET 08-Feb-23
Professor Jack Simons
University of Utah
United States
The Wonderful World of Molecular Anions Abstract 17:00 CET 06-Feb-23
Professor Daren Caruana
University College London
The Value of Creativity in Scientific Research Abstract 10:00 CET 09-Feb-23

Q-Chem workshop Abstract 17:00 CET 09-Feb-2023

Tinker workshop Abstract 10:00 CET 10-Feb-2023