Simon L. Batzner

发表论文 21 篇 · 总被引 4198 次 · h-index 14

代表论文

• E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials (2021 · Nature Communications · 被引 2254)
• Learning local equivariant representations for large-scale atomistic dynamics (2022 · Nature Communications · 被引 846)
• On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events (2019 · npj Computational Materials · 被引 434)
• The design space of E(3)-equivariant atom-centred interatomic potentials (2022 · Nature Machine Intelligence · 被引 374)
• Scaling the Leading Accuracy of Deep Equivariant Models to Biomolecular Simulations of Realistic Size (2023 · International Conference for High Performance Computing, Networking, Storage and Analysis · 被引 105)
• SE(3)-Equivariant Graph Neural Networks for Data-Ecient and Accurate Interatomic Potentials (被引 83)