TY  - RPRT
TI  - Challenges and opportunities for machine learning potentials in transition path sampling: alanine dipeptide and azobenzene studies
AU  - Fedik, Nikita [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA, Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA] (ORCID:0000000268697268)
AU  - Li, Wei [Computer, Computational, and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA]
AU  - Lubbers, Nicholas [Computer, Computational, and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA] (ORCID:0000000290019973)
AU  - Nebgen, Benjamin [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA] (ORCID:0000000153103263)
AU  - Tretiak, Sergei [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA, Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA, Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, NM, USA] (ORCID:0000000155473647)
AU  - Li, Ying Wai [Computer, Computational, and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, NM, 87545, USA] (ORCID:0000000301248262)
PY  - 2025
DO  - 10.1039/d4dd00265b
UR  - https://www.osti.gov/biblio/2562956
ID  - 2562956
ER  -