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David Rolnick — most-cited papers & profile · AI for Science
← authors
·
overview
David Rolnick
8
papers ·
10
citations
Google Scholar ↗
Semantic Scholar ↗
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Most-cited papers
FAENet: Frame Averaging Equivariant GNN for Materials Modeling
2023 · 7 citations
PhAST: Physics-Aware, Scalable, and Task-specific GNNs for Accelerated Catalyst Design
2022 · 2 citations
Adsorption energies are necessary but not sufficient to identify good catalysts
2025
Catalyst GFlowNet for electrocatalyst design: A hydrogen evolution reaction case study
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
· 6
Victor Schmidt
· 5
Yoshua Bengio
· 4
Santiago Miret
· 3
Álex Hernández-García
· 2
Ali Ramlaoui
· 2
F\'elix Therrien
· 2
Fragkiskos D. Malliaros
· 2
Lena Podina
· 2
Shahana Chatterjee
· 2
Alexander Davis
· 1
Alex Hern\'andez-Garcia
· 1
Topics
Chemistry
Materials
Physics ML
Climate & Weather