Concepedia

Denghui Lu

DL

Statistics

Publications

15

Citations

1.4K

H-Index

12

Active since

1984

Affiliations

Peking University(Current)

Princeton University

Institute of Applied Physics and Computational Mathematics

Collaborative Innovation Center of Chemistry for Energy Materials

University of Chinese Academy of Sciences

Denghui Lu is an author at Peking University specializing in natural sciences, molecular dynamics, and molecular simulation.

Publications per year

1984–2025

15

Publications

15

DeePMD-kit v2: A software package for deep potential models

Jinzhe Zeng, Duo Zhang, Denghui Lu et al. · The Journal of Chemical Physics · 2023 · 534 citations · Full text

Natural Sciences, Chemistry, Materials Science +15

86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy

Denghui Lu, Mohan Chen, Lin Lin et al. · Computer Physics Communications · 2020 · 233 citations · Full text

Natural Sciences, Chemistry, Physics +12

Pushing the Limit of Molecular Dynamics with Ab Initio Accuracy to 100 Million Atoms with Machine Learning

Weile Jia, Han Wang, Mohan Chen et al. · 2020 · 229 citations

Natural Sciences, High-performance Computing, Physics +17

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

Denghui Lu, Wanrun Jiang, Yixiao Chen et al. · Journal of Chemical Theory and Computation · 2022 · 95 citations

Natural Sciences, Chemistry, Physics +17

DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials

Jinzhe Zeng, Duo Zhang, Anyang Peng et al. · Journal of Chemical Theory and Computation · 2025 · 70 citations · Full text

Natural Sciences, Materials Science, Physics +12

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