Aktuelles

The last speaker of this winter semester's seminar series, Dr. Ivor Lončarić, is a Senior Research Associate at the Ruđer Bošković Institute, Croatia. He develops machine‑learning and first‑principles methods to model complex materials across larger scales, currently leading a project on interatomic… [weiterlesen]

Harald Oberhofer, Professor of Theoretical Physics at the University of Bayreuth uses first principles simulations and data driven analysis for materials development. Dr. Íñigo Iribarren Aguirre, PostDoc in Prof. Alessio Gagliardi’s group, works on a computational workflow that benchmarks classical… [weiterlesen]

Tejs Vegge Professor and Head of the Section for Autonomous Materials Discovery at the Technical University of Denmark. Our second speaker specializes in AI‑driven computational discovery of clean‑energy materials, spanning advanced batteries, hydrogen and ammonia systems, and nanoparticle… [weiterlesen]

Bartolomeo Civalleri is a professor of Theoretical Chemistry at the University of Turin in Italy. As an expert on ab initio modelling in solid-state chemistry, he contributed to the development of the CRYSTAL code, a simulation tool he will introduce in his talk. [weiterlesen]

Carla Verdi is ARC DECRA Fellow at the University of Queensland in Australia. She is an expert in the field of computational materials physics and will present first principles and machine learning methods for modeling electron phonon interactions and polarons in complex oxides, revealing how… [weiterlesen]

AMC’s newest Core Member, Phaedon-Stelios Koutsourelakis, is Professor of Data-driven Materials Modeling at TUM. He is an expert in bridging scales from atomistic to continuum through probabilistic coarse-graining and Bayesian inference and will share insights into a fully data-free, generative… [weiterlesen]

Ville Härkönen, Senior Research Fellow at the Tampere Institute for Advanced Study and head of Many-Body Theory group at the Tampere University Finland, focuses on theoretical and computational studies to gain a better understanding of various phenomena, like superconductivity. [weiterlesen]

Inorganic materials for the improvement of energy efficiency are in the focus of Antti Karttunens research. The Associate Professor for Inorganic Materials Modelling at the Aalto University in Finland uses quantum chemical methods to investigate the atomic-level structures and properties of… [weiterlesen]

Dr. Paolo Pegolo from École Polytechnique Fédérale de Lausanne builds machine learning frameworks to predict quantum mechanical properties and intermediate quantities for physics-based analysis. He will showcase cutting-edge methods for learning tensorial observables in atomistic simulations using… [weiterlesen]

The computational discovery of new materials and material combinations is the primary focus of the research group of Oliver Hofmann, Associate Professor at the Institute for Solid State Physics at the TU Graz. The particular emphasis lies on organic thin films and inorganic/organic interfaces using… [weiterlesen]