Generalized Flow Matching for Transition Dynamics Modeling

H Wang, Y Qiu, Y Wang, R Brekelmans… - arxiv preprint arxiv …, 2024 - arxiv.org
Simulating transition dynamics between metastable states is a fundamental challenge in
dynamical systems and stochastic processes with wide real-world applications in …

Towards Machine Learning Foundation Models for Materials Chemistry

J Riebesell - 2024 - repository.cam.ac.uk
This thesis demonstrates how recent advances in machine learning (ML) for materials can
accelerate our search for new stable inorganic crystals. We show how best to measure and …