Xiang Fu

Learning Smooth and Expressive Interatomic Potentials for Physical Property Prediction

UMA: A Family of Universal Models for Atoms

Adjoint Sampling: Highly Scalable Diffusion Samplers via Adjoint Matching

All-atom Diffusion Transformers: Unified generative modelling of molecules and materials

MOFDiff: Coarse-grained Diffusion for Metal-Organic Framework Design

A Recipe for Charge Density Prediction

Latent Space Simulator for Unveiling Molecular Free Energy Landscapes and Predicting Transition Dynamics