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Yixiao Chen
Yixiao Chen
Verified email at princeton.edu
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Year
DeePMD-kit v2: A software package for deep potential models
J Zeng, D Zhang, D Lu, P Mo, Z Li, Y Chen, M Rynik, L Huang, Z Li, S Shi, ...
The Journal of Chemical Physics 159 (5), 2023
862023
Ground state energy functional with Hartree–Fock efficiency and chemical accuracy
Y Chen, L Zhang, H Wang, W E
The Journal of Physical Chemistry A 124 (35), 7155-7165, 2020
652020
DeePKS: A comprehensive data-driven approach toward chemically accurate density functional theory
Y Chen, L Zhang, H Wang, W E
Journal of Chemical Theory and Computation 17 (1), 170-181, 2020
642020
DP compress: A model compression scheme for generating efficient deep potential models
D Lu, W Jiang, Y Chen, L Zhang, W Jia, H Wang, M Chen
Journal of chemical theory and computation 18 (9), 5559-5567, 2022
53*2022
Deep Density: circumventing the Kohn-Sham equations via symmetry preserving neural networks
L Zepeda-Nez, Y Chen, J Zhang, W Jia, L Zhang, L Lin
Journal of Computational Physics 443, 110523, 2021
322021
Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms
Z Guo, D Lu, Y Yan, S Hu, R Liu, G Tan, N Sun, W Jiang, L Liu, Y Chen, ...
Proceedings of the 27th ACM SIGPLAN Symposium on Principles and Practice of…, 2022
272022
Topology of vibrational modes predicts plastic events in glasses
ZW Wu, Y Chen, WH Wang, W Kob, L Xu
Nature Communications 14 (1), 2955, 2023
172023
DeePKS-kit: A package for developing machine learning-based chemically accurate energy and density functional models
Y Chen, L Zhang, H Wang, E Weinan
Computer Physics Communications 282, 108520, 2023
92023
DeePKS+ ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials
W Li, Q Ou, Y Chen, Y Cao, R Liu, C Zhang, D Zheng, C Cai, X Wu, ...
The Journal of Physical Chemistry A 126 (49), 9154-9164, 2022
62022
Ab initio multi-scale modeling of ferroelectrics: The case of PbTiO3
P Xie, Y Chen, W E, R Car
arXiv preprint arXiv:2205.11839, 2022
42022
Hybrid Auxiliary Field Quantum Monte Carlo for Molecular Systems
Y Chen, L Zhang, W E, R Car
Journal of Chemical Theory and Computation, 2023
22023
A machine learning-based high-precision density functional method for drug-like molecules
J Xiao, YX Chen, LF Zhang, H Wang, T Zhu
Artificial Intelligence Chemistry 2 (1), 100037, 2024
2024
Efficient Numerical Algorithm for Large-Scale Damped Natural Gradient Descent
Y Chen, H Xie, H Wang
arXiv preprint arXiv:2310.17556, 2023
2023
DeePKS Model for Halide Perovskites with the Accuracy of a Hybrid Functional
Q Ou, P Tuo, W Li, X Wang, Y Chen, L Zhang
The Journal of Physical Chemistry C 127 (37), 18755-18764, 2023
2023
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