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Victor Schmidt — most-cited papers & profile · AI for Science
← authors
·
overview
Victor Schmidt
8
papers ·
48
citations
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Most-cited papers
A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems
2023 · 34 citations
FAENet: Frame Averaging Equivariant GNN for Materials Modeling
2023 · 7 citations
Crystal-GFN: sampling crystals with desirable properties and constraints
2023 · 5 citations
PhAST: Physics-Aware, Scalable, and Task-specific GNNs for Accelerated Catalyst Design
2022 · 2 citations
Catalyst GFlowNet for electrocatalyst design: A hydrogen evolution reaction case study
2025
LeMat-Traj: A Scalable and Unified Dataset of Materials Trajectories for Atomistic Modeling
2025
On the importance of catalyst-adsorbate 3D interactions for relaxed energy predictions
2023
Improving Molecular Modeling with Geometric GNNs: an Empirical Study
2024
Top co-authors
Alexandre Duval
· 8
David Rolnick
· 5
Yoshua Bengio
· 5
Santiago Miret
· 4
Ali Ramlaoui
· 3
Fragkiskos D. Malliaros
· 3
Álex Hernández-García
· 2
Alexandra Volokhova
· 1
Alex Hern\'andez-Garc\'ia
· 1
Alex Hernandez Garcia
· 1
Alex Hernandez-Garcia
· 1
Alvaro Carbonero
· 1
Topics
Materials
Chemistry
Physics ML
Climate & Weather
Protein Science