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• Optimizing Memory Placement using Evolutionary Graph Reinforcement Learning
  2020
• FAENet: Frame Averaging Equivariant GNN for Materials Modeling
  2023
• MatSci-NLP: Evaluating Scientific Language Models on Materials Science Language Tasks Using Text-to-Schema Modeling
  2023
• Using Multiple Vector Channels Improves E(n)-Equivariant Graph Neural Networks
  2023
• EGraFFBench: Evaluation of Equivariant Graph Neural Network Force Fields for Atomistic Simulations
  2023
• Searching for High-Value Molecules Using Reinforcement Learning and Transformers
  2023
• On the importance of catalyst-adsorbate 3D interactions for relaxed energy predictions
  2023
• A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems
  2023