Recordings Edition 2023

The Molecular Response to Light: A Wonderful Playground for a Theoretical Chemist

Computational analysis of nanoscale reactivity: from academics to industry

Electric Fields and Charge Density Geometry in Enzymes

Deep Learning Imputation – Using AI to Derive Valuable Insights from Drug Discovery Data

Molecular Docking Study of Xerantholide and Its Interaction with Neisseria Gonorrhoeae Carbonic Anhydrase

Computational Exploration of the Void Space in Solid-State Materials for Chemical Applications

Force Fields – A New Beginning?

How important is to include multiple conformers on simulations? Examples and interesting cases from ORCA’s newest Global Optimizer Algorithm (GOAT)

Modelling Materials and Interfaces Using Density Functional Theory: Basic Principles and Example Applications

Continuum Modelling for First-Principles Computational Electrochemistry

A Pair of Lonely Electrons in a Crowded Room: Revisiting the Concept of an Electron Lone-Pair

Learning Biomolecular Collective Variables

The Wonderful World of Molecular Anions

The Value of Creativity in Scientific Research

Q-Chem workshop

Tinker workshop