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
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
Hungary 		Computational analysis of nanoscale reactivity: from academics to industry Abstract 11:00 CET 06-Feb-23
Professor Anastassia Alexandrova
UCLA
USA
Professor Mark Eberhart
Colorado School of Mines
USA		 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
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
Denmark 		Force Fields – A New Beginning? Abstract 15:00 CET 07-Feb-23
Dr. Bernardo de Souza
FAccTs GmbH
Germany 		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
Australia 		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
Germany 		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
UK 		The Value of Creativity in Scientific Research Abstract 10:00 CET 09-Feb-23
Q-Chem

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

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