Generator of Neural Network Potential for Molecular Dynamics: Constructing Robust and Accurate Potentials with Active Learning for Nanosecond-Scale Simulations.

Matsumura N, Yoshimoto Y, Yamazaki T, Amano T, Noda T, Ebata N, Kasano T, Sakai Y

Open source

DOI
10.1021/acs.jctc.4c01613
Published
2025 Apr 22
Container
Journal of chemical theory and computation
Publisher
Not recorded
Open access
no

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BibTeX

@article{allodium:10.1021/acs.jctc.4c01613,
  title = {Generator of Neural Network Potential for Molecular Dynamics: Constructing Robust and Accurate Potentials with Active Learning for Nanosecond-Scale Simulations.},
  author = {Matsumura N and Yoshimoto Y and Yamazaki T and Amano T and Noda T and Ebata N and Kasano T and Sakai Y},
  year = {2025},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.4c01613},
  url = {https://doi.org/10.1021/acs.jctc.4c01613}
}

RIS

TY  - JOUR
TI  - Generator of Neural Network Potential for Molecular Dynamics: Constructing Robust and Accurate Potentials with Active Learning for Nanosecond-Scale Simulations.
AU  - Matsumura N
AU  - Yoshimoto Y
AU  - Yamazaki T
AU  - Amano T
AU  - Noda T
AU  - Ebata N
AU  - Kasano T
AU  - Sakai Y
PY  - 2025
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.4c01613
UR  - https://doi.org/10.1021/acs.jctc.4c01613
ER  - 

APA

N, M., Y, Y., T, Y., T, A., T, N., N, E., T, K., & Y, S. (2025). Generator of Neural Network Potential for Molecular Dynamics: Constructing Robust and Accurate Potentials with Active Learning for Nanosecond-Scale Simulations.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.4c01613

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