Aktuelles

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]

In this first talk of the new seminar series, Dr. Philip Loche from EPFL will introduce a broadly applicable machine-learning model trained on a diverse dataset spanning stable inorganic and organic materials, systematically augmented to enhance atomic diversity. [read more]

[read more]