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High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning.
J Chem Phys. 2022 Apr 21;156(15):154902. doi: 10.1063/5.0080838.
J Chem Phys. 2022.
PMID: 35459321
Towards Molecular Simulations that are Transparent, Reproducible, Usable By Others, and Extensible (TRUE).
Thompson MW, Gilmer JB, Matsumoto RA, Quach CD, Shamaprasad P, Yang AH, Iacovella CR, Cabe CM, Cummings PT.
Thompson MW, et al. Among authors: quach cd.
Mol Phys. 2020;118(9-10):e1742938. doi: 10.1080/00268976.2020.1742938. Epub 2020 Apr 8.
Mol Phys. 2020.
PMID: 33100401
Free PMC article.
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MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulation Engine GOMC.
Crawford B, Timalsina U, Quach CD, Craven NC, Gilmer JB, McCabe C, Cummings PT, Potoff JJ.
Crawford B, et al. Among authors: quach cd.
J Chem Inf Model. 2023 Feb 27;63(4):1218-1228. doi: 10.1021/acs.jcim.2c01498. Epub 2023 Feb 15.
J Chem Inf Model. 2023.
PMID: 36791286
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E(n) Equivariant Graph Neural Network for Learning Interactional Properties of Molecules.
Nehil-Puleo K, Quach CD, Craven NC, McCabe C, Cummings PT.
Nehil-Puleo K, et al. Among authors: quach cd.
J Phys Chem B. 2024 Feb 1;128(4):1108-1117. doi: 10.1021/acs.jpcb.3c07304. Epub 2024 Jan 17.
J Phys Chem B. 2024.
PMID: 38232317
Free PMC article.
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Bacterial brothers in arms: cooperation of Staphylococcus aureus and Pseudomonas aeruginosa during antimicrobial exposure.
Lenhard JR, Smith NM, Quach CD, Nguyen TQ, Doan LH, Chau J.
Lenhard JR, et al. Among authors: quach cd.
J Antimicrob Chemother. 2019 Sep 1;74(9):2657-2665. doi: 10.1093/jac/dkz247.
J Antimicrob Chemother. 2019.
PMID: 31219553
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