Active learning meets metadynamics: Automated workflow for reactive machine learning potentials

Vitartas V, Zhang H, Juraskova V, Johnston-Wood T, Duarte F
2025
preprint
Book Title:
ChemRxiv
No abstract available
Keywords:

34 Chemical Sciences

,

3406 Physical Chemistry

,

Machine Learning and Artificial Intelligence

,

Networking and Information Technology R&D (NITRD)

DOI
10.26434/chemrxiv-2024-twmlz-v2