Mohan Chen

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Coautors

Xifan WuProfessor of Physics, Temple UniversityCorreu electrònic verificat a temple.edu
Linfeng ZhangDP Technology; AI for Science InstituteCorreu electrònic verificat a dp.tech
Roberto CarRalph W Dornte Professor in Chemistry, Princeton University Correu electrònic verificat a princeton.edu
Emily A. CarterSenior Strategic Advisor for Sustainability Science, PPPL and Gerhard R. Andlinger Professor inCorreu electrònic verificat a princeton.edu
Han Wang (王涵)Institute of Applied Physics and Computational MathematicsCorreu electrònic verificat a iapcm.ac.cn
Michael L KleinTemple UniversityCorreu electrònic verificat a temple.edu
Lixin HeUniversity of Science and Technology of ChinaCorreu electrònic verificat a ustc.edu.cn
Zhaoru SunShanghaitech UniversityCorreu electrònic verificat a shanghaitech.edu.cn
Houlong ZhuangAssociate Professor, Arizona State UniversityCorreu electrònic verificat a asu.edu
Denghui LuPeking UniversityCorreu electrònic verificat a pku.edu.cn
Biswajit SantraSenior Scientist II, Schrödinger, Inc.Correu electrònic verificat a schrodinger.com
Weile Jia (贾伟乐)Professor at Institute of Computing Technology, Chinese Academy of Sciences.Correu electrònic verificat a ict.ac.cn
Hsin-Yu KoDepartment of Chemistry, University of North TexasCorreu electrònic verificat a unt.edu
Lin LinUniversity of California, BerkeleyCorreu electrònic verificat a math.berkeley.edu
John P. PerdewTemple UniversityCorreu electrònic verificat a temple.edu
Duyu Chen (陈杜宇）Postdoc, UCSB; PhD, Princeton UniversityCorreu electrònic verificat a alumni.princeton.edu
Yang Jiao (焦阳)Professor of Materials Science & Engineering, Dept. of Physics, Arizona State UniversityCorreu electrònic verificat a asu.edu
Weinan EProfessor of Mathematics, Princeton UniversityCorreu electrònic verificat a math.princeton.edu
Chunyi ZhangPrinceton UniversityCorreu electrònic verificat a princeton.edu
Qianrui LiuPeking UniversityCorreu electrònic verificat a pku.edu.cn

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Mohan Chen

Assistant Professor, Peking University

Correu electrònic verificat a pku.edu.cn - Pàgina d'inici

Density Functional Theory Molecular Dynamics


Títol Ordena per cites Ordena per any Ordena per títol	Citada per Citada per	Any
Ab initio theory and modeling of water M Chen, HY Ko, RC Remsing, MF Calegari Andrade, B Santra, Z Sun, ... Proceedings of the National Academy of Sciences 114 (41), 10846-10851, 2017	410	2017
Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning W Jia, H Wang, M Chen, D Lu, L Lin, R Car, E Weinan, L Zhang SC20: International conference for high performance computing, networking …, 2020	304	2020
Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer M Chen, L Zheng, B Santra, HY Ko, RA DiStasio Jr, ML Klein, R Car, X Wu Nature chemistry 10, 413-419, 2018	245	2018
86 PFLOPS deep potential molecular dynamics simulation of 100 million atoms with ab initio accuracy D Lu, H Wang, M Chen, L Lin, R Car, E Weinan, W Jia, L Zhang Computer Physics Communications 259, 107624, 2021	185	2021
Deep neural network for the dielectric response of insulators L Zhang, M Chen, X Wu, H Wang, W E, R Car Physical Review B 102 (4), 041121, 2020	120	2020
Large-scale ab initio simulations based on systematically improvable atomic basis P Li, X Liu, M Chen, P Lin, X Ren, L Lin, C Yang, L He Computational Materials Science 112, 503-517, 2016	112	2016
Accelerating atomic orbital-based electronic structure calculation via pole expansion and selected inversion L Lin, M Chen, C Yang, L He Journal of Physics: Condensed Matter 25 (29), 295501, 2013	107	2013
Systematically improvable optimized atomic basis sets for ab initio calculations M Chen, GC Guo, L He Journal of Physics: Condensed Matter 22 (44), 445501, 2010	103	2010
Structural, Electronic, and Dynamical Properties of Liquid Water by ab initio Molecular Dynamics based on SCAN Functional within the Canonical Ensemble L Zheng, M Chen, Z Sun, HY Ko, B Santra, P Dhuvad, X Wu J. Chem. Phys. 148, 164505, 2018	86	2018
Introducing PROFESS 3.0: An advanced program for orbital-free density functional theory molecular dynamics simulations. M Chen, J Xia, C Huang, JM Dieterich, L Hung, I Shin, EA Carter Comput. Phys. Commun. 190, 228-230, 2015	86	2015
Modeling liquid water by climbing up Jacob’s ladder in density functional theory facilitated by using deep neural network potentials C Zhang, F Tang, M Chen, J Xu, L Zhang, DY Qiu, JP Perdew, ML Klein, ... The Journal of Physical Chemistry B 125 (41), 11444-11456, 2021	70	2021
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	67	2022
Disordered hyperuniformity in two-dimensional amorphous silica Y Zheng, L Liu, H Nan, ZX Shen, G Zhang, D Chen, L He, W Xu, M Chen, ... Science Advances 6 (16), eaba0826, 2020	60	2020
Electron-hole theory of the effect of quantum nuclei on the x-ray absorption spectra of liquid water XW Zhaoru Sun, Lixin Zheng, Mohan Chen, Michael L. Klein, Francesco Paesani Phys. Rev. Lett. 121, 137401, 2018	59	2018
The melting point of lithium: an orbital-free first-principles molecular dynamics study M Chen, L Hung, C Huang, J Xia, EA Carter Molecular Physics 111 (22-23), 3448-3456, 2013	56	2013
Stone–wales defects preserve hyperuniformity in amorphous two-dimensional networks D Chen, Y Zheng, L Liu, G Zhang, M Chen, Y Jiao, H Zhuang Proceedings of the National Academy of Sciences 118 (3), e2016862118, 2021	55	2021
Petascale orbital-free density functional theory enabled by small-box algorithms M Chen, XW Jiang, H Zhuang, LW Wang, EA Carter Journal of chemical theory and computation 12 (6), 2950-2963, 2016	55	2016
Stabilization of Highly Polar -like Structure: A New Interface Design Route for Enhanced Ferroelectricity in Artificial Perovskite Superlattices H Wang, J Wen, DJ Miller, Q Zhou, M Chen, HN Lee, KM Rabe, X Wu Physical Review X 6 (1), 011027, 2016	48	2016
Isotope effects in molecular structures and electronic properties of liquid water via deep potential molecular dynamics based on the SCAN functional J Xu, C Zhang, L Zhang, M Chen, B Santra, X Wu Physical Review B 102 (21), 214113, 2020	43	2020
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	40	2022

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