Latest Info

At the upcoming Atomistic Modeling Seminar, Prof. Georg Madsen (TU Wien) will present his talk “Active Learning of MLIPs for Metal-Liquid Interfaces – Rough Surfaces and Reactions”, highlighting recent advances in machine-learning-driven molecular dynamics simulations of metal–liquid interfaces. [read more]

The next speaker in the Atomistic Modeling Seminar series, Prof. Benjamin Fingerhut, will present his talk “Dynamics of Excess Electron Polaron Formation in Water and Potassium Poly-Heptazine Imide (KPHI)”, focusing on electron localization dynamics in liquid water and KPHI systems. [read more]

The next speaker in the Atomistic Modeling Seminar series, Prof. Simon Olsson (Chalmers University of Technology), will present his talk “Generative Molecular Dynamics”, focusing on the efficient generation of independent statistics through generative machine learning models. [read more]

In the upcoming Atomistic Modeling Seminar, Prof. Sibylle Gemming (Technische Universität Chemnitz) will discuss transport processes in single molecules and molecular layers, focusing on modeling approaches based on DFT calculations, non-equilibrium Green’s functions, and molecular junction… [read more]

The next speaker in the Atomistic Modeling Seminar series, Prof. Jonas Elm (Aarhus University), will present his research on screening of atmospherically relevant cluster systems. His talk will address cluster formation pathways, explore configurational space using machine learning, and discuss the… [read more]

TUM is firmly committed to a sustainable future. We don’t just want to talk about sustainability – we want to live it! That’s why we are once again delighted to invite the entire TUM community to the upcoming TUM Sustainability Day on April 29, 2026. MDSI and AMC will also be there, again with talks… [read more]

At the upcoming Atomistic Modeling Seminar, Prof. Dr. Ferdinand Evers (University of Regensburg) will present his work on mesoscopic transport within the Landauer framework, with a focus on scattering states and their spatial structure. The talk will address circulating currents and their impact on… [read more]

The upcoming speaker of the Atomistic Modeling Seminar, Dr. Kristyna Pluhackova, is an Independent Junior Research Group Leader at the Cluster of Excellence SimTech at the University of Stuttgart. She uses multiscaling molecular dynamics simulations to investigate complex biological processes,… [read more]

At a recent Atomistic Modeling Seminar, Prof. Bettina Keller (Freie Universität Berlin) presented her work on the thermal isomerization of retinal, focusing on reaction coordinates, committors, and entropic effects. [read more]

Jonathan Schmidt is an ETH Zürich researcher in AI for solid-state physics and materials science at the COSMO Lab at EPFL Lausanne. He will present how machine learning is reshaping materials modelling, from large-scale materials discovery through the Alexandria database to simulations that bring… [read more]