Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic Properties.

Kurnikov IV, Pereyaslavets L, Kamath G, Sakipov SN, Voronina E, Butin O, Illarionov A, Leontyev I, Nawrocki G, Darkhovskiy M, Olevanov M, Ivahnenko I, Chen Y, Lock CB, Levitt M, Kornberg RD, Fain B

Open source

DOI
10.1021/acs.jctc.3c00921
Published
2024 Feb 13
Container
Journal of chemical theory and computation
Publisher
Not recorded
Open access
yes

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BibTeX

@article{allodium:10.1021/acs.jctc.3c00921,
  title = {Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic Properties.},
  author = {Kurnikov IV and Pereyaslavets L and Kamath G and Sakipov SN and Voronina E and Butin O and Illarionov A and Leontyev I and Nawrocki G and Darkhovskiy M and Olevanov M and Ivahnenko I and Chen Y and Lock CB and Levitt M and Kornberg RD and Fain B},
  year = {2024},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.3c00921},
  url = {https://doi.org/10.1021/acs.jctc.3c00921}
}

RIS

TY  - JOUR
TI  - Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic Properties.
AU  - Kurnikov IV
AU  - Pereyaslavets L
AU  - Kamath G
AU  - Sakipov SN
AU  - Voronina E
AU  - Butin O
AU  - Illarionov A
AU  - Leontyev I
AU  - Nawrocki G
AU  - Darkhovskiy M
AU  - Olevanov M
AU  - Ivahnenko I
AU  - Chen Y
AU  - Lock CB
AU  - Levitt M
AU  - Kornberg RD
AU  - Fain B
PY  - 2024
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.3c00921
UR  - https://doi.org/10.1021/acs.jctc.3c00921
ER  - 

APA

IV, K., L, P., G, K., SN, S., E, V., O, B., A, I., I, L., G, N., M, D., M, O., I, I., Y, C., CB, L., M, L., RD, K., & B, F. (2024). Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic Properties.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.3c00921

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