activity
20222026
most citedGraph neural networks for materials science and chemistry

34 citations · 38 across the 3 of their papers we have counts for

collaborators

5 papers

math.PR2026

The singularity probability of dense random regular graphs

Zeyan Song, Hanchao Wang, Shengyan Yin +1

Let be a uniformly random simple -regular graph on vertices, and let be its adjacency matrix. For every fixed , we prove that for any $λ(n-1)\le…

physics.comp-ph2025

Towards a fully differentiable digital twin for solar cells

Marie Louise Schubert, Houssam Metni, Jan David Fischbach +18

Maximizing energy yield (EY) - the total electric energy generated by a solar cell within a year at a specific location - is crucial in photovoltaics (PV), especially for emerging…

cond-mat.mtrl-sci2025★ 4 cited

Generative Models for Crystalline Materials

Houssam Metni, Laura Ruple, Lauren N. Walters +13

Understanding structure-property relationships in materials is fundamental in condensed matter physics and materials science. Over the past few years, machine learning (ML) has eme…

cs.LG2022

Actively Learning Costly Reward Functions for Reinforcement Learning

André Eberhard, Houssam Metni, Georg Fahland +2

Transfer of recent advances in deep reinforcement learning to real-world applications is hindered by high data demands and thus low efficiency and scalability. Through independent…

physics.chem-ph2022★ 34 cited

Graph neural networks for materials science and chemistry

Patrick Reiser, Marlen Neubert, André Eberhard +8

Machine learning plays an increasingly important role in many areas of chemistry and materials science, e.g. to predict materials properties, to accelerate simulations, to design n…