DREAMS: Density Functional Theory Based Research Engine for Agentic Materials Simulation
Published in arXiv preprint arXiv:2507.14267, 2025
Publications
CLOUD: A Scalable and Physics-Informed Foundation Model for Crystal Representation Learning
Published in arXiv preprint arXiv:2506.17345, 2025
Materials Informatics Transformer: A Language Model for Interpretable Materials Properties Prediction
Published in arXiv preprint arXiv:2308.16259, 2023
Denoise Pretraining on Nonequilibrium Molecules for Accurate and Transferable Neural Potentials
Published in Journal of Chemical Theory and Computation, 2023
TransPolymer: a Transformer-based language model for polymer property predictions
Published in npj Computational Materials, 2023
Electrocleavage Synthesis of Solution-Processed, Imine-Linked, and Crystalline Covalent Organic Framework Thin Films
Published in Journal of the American Chemical Society, 2022