Aktuelles

The 1st AMC Annual Retreat will be held at TUM’s Science & Study Center in Raitenhaslach on July 22nd and 23rd, 2025. [read more]

John M. Herbert is Professor at the Department of Chemistry and Biochemistry at the Ohio State University. His group advances quantum chemistry by developing efficient, accurate, and cost-effective electronic structure models—especially for excited states in condensed-phase systems—and contributes… [read more]

Milica Todorović, Associate Professor at the University of Turku, explores how active learning and Bayesian optimization enhance computational materials engineering by efficiently navigating energy landscapes via DFT simulations. Laura Fuchs, a PhD student in Prof. Frank Ortmann’s group, underscores… [read more]

Carolin Müller is Junior Professor for the Theory of Electronically Excited States and head of the Computational Photo Chemistry Group at the Computer Chemistry Center at the Friedrich-Alexander-Universität Erlangen-Nürnberg. Her research focuses on the fascinating field of light-induced physical… [read more]

Haobo Li is Assistant Professor and independent group leader of Chemical Engineering and Biotechnology at the Nanyang Technological University in Singapore. In her talk on “AI-Driven Energy Chemistry: Make AI Do Your Work!”, Li will explore whether theoretical computations can reliably predict… [read more]

Kjell Jorner is Assistant Professor of Digital Chemistry at the Department of Chemistry and Applied Biosciences ETH Zürich. In his talk he will present computational tools for prediction of structure and reaction mechanisms of catalysts and ligands, including expert descriptors, reaction dataset… [read more]

Antonella Di Pizio leads the Molecular Modeling Group at the Leibniz Institute for Food Systems Biology and holds the Professorship for Chemoinformatics and Protein Modeling at TUM. She will give insights into the challenges of understanding chemosensory systems and several application fields for… [read more]

Ali Alavi, Director of the Electronic Structure Theory Department at the Max Planck Institute for Solid State Research and Professor of Chemistry at the University of Cambridge, will present his “transcorrelation” approach and show how to resolve technical issues applying those transcorrelated… [read more]

Dr. Rico Friedrich, Research Group leader at the Chair of Theoretical Chemistry at TU Dresden and the Institute of Ion Beam Physics and Materials Research at the Helmholtz-Zentrum Dresden-Rossendorf (HZDR), will show the power of predictive data-driven design strategies for two exemplary materials… [read more]

Prof. Vogiatzis from the University of Tennessee in Knoxville, USA, will introduce a computational procedure that combines quantum chemistry with machine learning for the accurate and reliable examination of thousands of coordination environments of high-valent metal-oxo species, compounds in… [read more]