Mohan Chen

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

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Mohan Chen

Associate Professor (Tenured), Peking University

E-mail confirmado em pku.edu.cn - Página inicial

Density Functional Theory Molecular Dynamics


Título Ordenar por citações Ordenar por ano Ordenar por título	Citado por Citado por	Ano
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	420	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	318	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	249	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	195	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	124	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	119	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	105	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	89	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	87	2015
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	72	2022
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
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
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	56	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
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	54	2013
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	49	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	45	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	44	2022

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