Zhang L - Search Results

1

Neural network representation of electronic structure from ab initio molecular dynamics.

Gu Q, Zhang L, Feng J. Gu Q, et al. Among authors: zhang l. Sci Bull (Beijing). 2022 Jan;67(1):29-37. doi: 10.1016/j.scib.2021.09.010. Epub 2021 Sep 17. Sci Bull (Beijing). 2022. PMID: 36545956

2

Signatures of a liquid-liquid transition in an ab initio deep neural network model for water.

Gartner TE 3rd, Zhang L, Piaggi PM, Car R, Panagiotopoulos AZ, Debenedetti PG. Gartner TE 3rd, et al. Among authors: zhang l. Proc Natl Acad Sci U S A. 2020 Oct 20;117(42):26040-26046. doi: 10.1073/pnas.2015440117. Epub 2020 Oct 2. Proc Natl Acad Sci U S A. 2020. PMID: 33008883 Free PMC article.

3

Free energy of proton transfer at the water-TiO₂ interface from ab initio deep potential molecular dynamics.

Calegari Andrade MF, Ko HY, Zhang L, Car R, Selloni A. Calegari Andrade MF, et al. Among authors: zhang l. Chem Sci. 2020 Jan 28;11(9):2335-2341. doi: 10.1039/c9sc05116c. Chem Sci. 2020. PMID: 34084393 Free PMC article.

4

Modeling Liquid Water by Climbing up Jacob's Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials.

Zhang C, Tang F, Chen M, Xu J, Zhang L, Qiu DY, Perdew JP, Klein ML, Wu X. Zhang C, et al. Among authors: zhang l. J Phys Chem B. 2021 Oct 21;125(41):11444-11456. doi: 10.1021/acs.jpcb.1c03884. Epub 2021 Sep 17. J Phys Chem B. 2021. PMID: 34533960 Free article.

5

DP Compress: A Model Compression Scheme for Generating Efficient Deep Potential Models.

Lu D, Jiang W, Chen Y, Zhang L, Jia W, Wang H, Chen M. Lu D, et al. Among authors: zhang l. J Chem Theory Comput. 2022 Sep 13;18(9):5559-5567. doi: 10.1021/acs.jctc.2c00102. Epub 2022 Aug 4. J Chem Theory Comput. 2022. PMID: 35926122

6

Deep learning tight-binding approach for large-scale electronic simulations at finite temperatures with ab initio accuracy.

Gu Q, Zhouyin Z, Pandey SK, Zhang P, Zhang L, E W. Gu Q, et al. Among authors: zhang l, zhang p. Nat Commun. 2024 Aug 8;15(1):6772. doi: 10.1038/s41467-024-51006-4. Nat Commun. 2024. PMID: 39117636 Free PMC article.

7

Reinforced dynamics for enhanced sampling in large atomic and molecular systems.

Zhang L, Wang H, E W. Zhang L, et al. J Chem Phys. 2018 Mar 28;148(12):124113. doi: 10.1063/1.5019675. J Chem Phys. 2018. PMID: 29604808

8

Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics.

Zhang L, Han J, Wang H, Car R, E W. Zhang L, et al. Phys Rev Lett. 2018 Apr 6;120(14):143001. doi: 10.1103/PhysRevLett.120.143001. Phys Rev Lett. 2018. PMID: 29694129

9

Adaptive coupling of a deep neural network potential to a classical force field.

Zhang L, Wang H, E W. Zhang L, et al. J Chem Phys. 2018 Oct 21;149(15):154107. doi: 10.1063/1.5042714. J Chem Phys. 2018. PMID: 30342462

10

Raman spectrum and polarizability of liquid water from deep neural networks.

Sommers GM , Calegari Andrade MF , Zhang L , Wang H , Car R . Sommers GM , et al. Among authors: zhang l. Phys Chem Chem Phys. 2020 May 21;22(19):10592-10602. doi: 10.1039/d0cp01893g. Epub 2020 May 7. Phys Chem Chem Phys. 2020. PMID: 32377657

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