Mohan Chen

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Xifan WuProfessor of Physics, Temple UniversityDirección de correo verificada de temple.edu
Linfeng ZhangDP Technology; AI for Science InstituteDirección de correo verificada de dp.tech
Roberto CarRalph W Dornte Professor in Chemistry, Princeton University Dirección de correo verificada de princeton.edu
Emily A. CarterSenior Strategic Advisor for Sustainability Science, PPPL and Gerhard R. Andlinger Professor inDirección de correo verificada de princeton.edu
Han Wang (王涵)Institute of Applied Physics and Computational MathematicsDirección de correo verificada de iapcm.ac.cn
Michael L KleinTemple UniversityDirección de correo verificada de temple.edu
Lixin HeUniversity of Science and Technology of ChinaDirección de correo verificada de ustc.edu.cn
Houlong ZhuangAssociate Professor, Arizona State UniversityDirección de correo verificada de asu.edu
Biswajit SantraSenior Scientist II, Schrödinger, Inc.Dirección de correo verificada de schrodinger.com
Weile Jia (贾伟乐)Professor at Institute of Computing Technology, Chinese Academy of Sciences.Dirección de correo verificada de ict.ac.cn
Hsin-Yu KoDepartment of Chemistry, University of North TexasDirección de correo verificada de unt.edu
John P. PerdewTemple UniversityDirección de correo verificada de temple.edu
Lin LinUniversity of California, BerkeleyDirección de correo verificada de math.berkeley.edu
Duyu Chen (陈杜宇）Postdoc, UCSB; PhD, Princeton UniversityDirección de correo verificada de alumni.princeton.edu
Yang Jiao (焦阳)Professor of Materials Science & Engineering, Dept. of Physics, Arizona State UniversityDirección de correo verificada de asu.edu
Weinan EProfessor of Mathematics, Princeton UniversityDirección de correo verificada de math.princeton.edu
Chunyi ZhangPrinceton UniversityDirección de correo verificada de princeton.edu
Qianrui LiuPeking UniversityDirección de correo verificada de pku.edu.cn
Jianhang XuThe University of North Carolina at Chapel HillDirección de correo verificada de unc.edu
Xinguo RenInstitute of Physics, Chinese Academy of SciencesDirección de correo verificada de ustc.edu.cn

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Mohan Chen

Assistant Professor, Peking University

Dirección de correo verificada de pku.edu.cn - Página principal

Density Functional Theory Molecular Dynamics


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
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	401	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	289	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	234	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	179	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	115	2020
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	105	2013
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	100	2016
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	93	2010
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
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	84	2018
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	67	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	63	2022
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	58	2018
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	56	2020
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
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	54	2016
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	52	2021
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	46	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	42	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	39	2022

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