1-20 of 28
Weinan E
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

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

Jinzhe Zeng, Duo Zhang, Denghui Lu, Pinghui Mo, Zeyu Li, Yixiao Chen, Marián Rynik, Li’ang Huang, Ziyao Li, Shaochen Shi, Yingze Wang, Haotian Ye, Ping Tuo, Jiabin Yang, Ye Ding, Yifan Li, Davide Tisi, Qiyu Zeng, Han Bao, Yu Xia, Jiameng Huang, Koki Muraoka, Yibo Wang, Junhan Chang, Fengbo Yuan, Sigbjørn Løland Bore, Chun Cai, Yinnian Lin, Bo Wang, Jiayan Xu, Jia-Xin Zhu, Chenxing Luo, Yuzhi Zhang, Rhys E. A. Goodall, Wenshuo Liang, Anurag Kumar Singh, Sikai Yao, Jingchao Zhang, Renata Wentzcovitch, Jiequn Han, Jie Liu, Weile Jia, Darrin M. York, Weinan E, Roberto Car, Linfeng Zhang, Han Wang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 054801 (2023)
https://doi.org/10.1063/5.0155600
Published: August 2023
View article titled, DeePMD-kit v2: A software package for deep potential models
Open the PDF for DeePMD-kit v2: A software package for deep potential models in another window
Journal Articles

Machine learning-assisted multi-scale modeling

Weinan E, Huan Lei, Pinchen Xie, Linfeng Zhang
Journal: Journal of Mathematical Physics
J. Math. Phys. 64, 071101 (2023)
https://doi.org/10.1063/5.0149861
Published: July 2023
View article titled, Machine learning-assisted multi-scale modeling
Open the PDF for Machine learning-assisted multi-scale modeling in another window
Journal Articles

A deep potential model with long-range electrostatic interactions

Editor’s Pick
Linfeng Zhang, Han Wang, Maria Carolina Muniz, Athanassios Z. Panagiotopoulos, Roberto Car, Weinan E
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 124107 (2022)
https://doi.org/10.1063/5.0083669
Published: March 2022
View article titled, A deep potential model with long-range electrostatic interactions
Open the PDF for A deep potential model with long-range electrostatic interactions in another window
Magazine Articles

Machine-learning-assisted modeling

Weinan E, Jiequn Han, Linfeng Zhang
Journal: Physics Today
Physics Today 74, 36–41 (2021)
https://doi.org/10.1063/PT.3.4793
Published: July 2021
View article titled, Machine-learning-assisted modeling
Open the PDF for Machine-learning-assisted modeling in another window
Journal Articles

Deep potential generation scheme and simulation protocol for the Li10GeP2S12-type superionic conductors

Editor’s Pick
Jianxing Huang, Linfeng Zhang, Han Wang, Jinbao Zhao, Jun Cheng, Weinan E
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 094703 (2021)
https://doi.org/10.1063/5.0041849
Published: March 2021
View article titled, Deep potential generation scheme and simulation protocol for the Li<sub>10</sub>GeP<sub>2</sub>S<sub>12</sub>-type superionic conductors
Open the PDF for Deep potential generation scheme and simulation protocol for the Li<sub>10</sub>GeP<sub>2</sub>S<sub>12</sub>-type superionic conductors in another window
Journal Articles

Adaptive coupling of a deep neural network potential to a classical force field

Linfeng Zhang, Han Wang, Weinan E
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 154107 (2018)
https://doi.org/10.1063/1.5042714
Published: October 2018
View article titled, Adaptive coupling of a deep neural network potential to a classical force field
Open the PDF for Adaptive coupling of a deep neural network potential to a classical force field in another window
Journal Articles

DeePCG: Constructing coarse-grained models via deep neural networks

Linfeng Zhang, Jiequn Han, Han Wang, Roberto Car, Weinan E
Journal: The Journal of Chemical Physics
J. Chem. Phys. 149, 034101 (2018)
https://doi.org/10.1063/1.5027645
Published: July 2018
View article titled, DeePCG: Constructing coarse-grained models via deep neural networks
Open the PDF for DeePCG: Constructing coarse-grained models via deep neural networks in another window
Journal Articles

Reinforced dynamics for enhanced sampling in large atomic and molecular systems

Linfeng Zhang, Han Wang, Weinan E
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 124113 (2018)
https://doi.org/10.1063/1.5019675
Published: March 2018
View article titled, Reinforced dynamics for enhanced sampling in large atomic and molecular systems
Open the PDF for Reinforced dynamics for enhanced sampling in large atomic and molecular systems in another window
Journal Articles

Interfacial diffusion aided deformation during nanoindentation

Amit Samanta, Weinan E
Journal: AIP Advances
AIP Advances 6, 075002 (2016)
https://doi.org/10.1063/1.4958299
Published: July 2016
View article titled, Interfacial diffusion aided deformation during nanoindentation
Open the PDF for Interfacial diffusion aided deformation during nanoindentation in another window
Includes: Supplementary data
Journal Articles

Sampling saddle points on a free energy surface

Amit Samanta, Ming Chen, Tang-Qing Yu, Mark Tuckerman, Weinan E
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 164109 (2014)
https://doi.org/10.1063/1.4869980
Published: April 2014
View article titled, Sampling saddle points on a free energy surface
Open the PDF for Sampling saddle points on a free energy surface in another window
Includes: Supplementary data
Journal Articles

Stability and the continuum limit of the spin-polarized Thomas-Fermi-Dirac-von Weizsäcker model

Weinan E, Jianfeng Lu
Journal: Journal of Mathematical Physics
J. Math. Phys. 53, 115615 (2012)
https://doi.org/10.1063/1.4755952
Published: October 2012
View article titled, Stability and the continuum limit of the spin-polarized Thomas-Fermi-Dirac-von Weizsäcker model
Open the PDF for Stability and the continuum limit of the spin-polarized Thomas-Fermi-Dirac-von Weizsäcker model in another window
Journal Articles

Atomistic simulations of rare events using gentlest ascent dynamics

Amit Samanta, Weinan E
Journal: The Journal of Chemical Physics
J. Chem. Phys. 136, 124104 (2012)
https://doi.org/10.1063/1.3692803
Published: March 2012
View article titled, Atomistic simulations of rare events using gentlest ascent dynamics
Open the PDF for Atomistic simulations of rare events using gentlest ascent dynamics in another window
Journal Articles

Continuum models for the contact line problem

Weiqing Ren, Dan Hu, Weinan E
Journal: Physics of Fluids
Physics of Fluids 22, 102103 (2010)
https://doi.org/10.1063/1.3501317
Published: October 2010
View article titled, Continuum models for the contact line problem
Open the PDF for Continuum models for the contact line problem in another window
Journal Articles

Adaptive minimum action method for the study of rare events

Xiang Zhou, Weiqing Ren, Weinan E
Journal: The Journal of Chemical Physics
J. Chem. Phys. 128, 104111 (2008)
https://doi.org/10.1063/1.2830717
Published: March 2008
View article titled, Adaptive minimum action method for the study of rare events
Open the PDF for Adaptive minimum action method for the study of rare events in another window
Journal Articles

Simplified and improved string method for computing the minimum energy paths in barrier-crossing events

Weinan E, Weiqing Ren, Eric Vanden-Eijnden
Journal: The Journal of Chemical Physics
J. Chem. Phys. 126, 164103 (2007)
https://doi.org/10.1063/1.2720838
Published: April 2007
View article titled, Simplified and improved string method for computing the minimum energy paths in barrier-crossing events
Open the PDF for Simplified and improved string method for computing the minimum energy paths in barrier-crossing events in another window
Journal Articles

Response to “Comment on ‘Nested stochastic simulation algorithm for chemical kinetic systems with disparate rates’ [J. Chem. Phys. 123, 194107 (2005)]”

Weinan E, Di Liu, Eric Vanden-Eijnden
Journal: The Journal of Chemical Physics
J. Chem. Phys. 126, 137102 (2007)
https://doi.org/10.1063/1.2567071
Published: April 2007
View article titled, Response to “Comment on ‘Nested stochastic simulation algorithm for chemical kinetic systems with disparate rates’ [J. Chem. Phys. 123, 194107 (2005)]”
Open the PDF for Response to “Comment on ‘Nested stochastic simulation algorithm for chemical kinetic systems with disparate rates’ [J. Chem. Phys. 123, 194107 (2005)]” in another window
Journal Articles

Boundary conditions for the moving contact line problem

Weiqing Ren, Weinan E
Journal: Physics of Fluids
Physics of Fluids 19, 022101 (2007)
https://doi.org/10.1063/1.2646754
Published: February 2007
View article titled, Boundary conditions for the moving contact line problem
Open the PDF for Boundary conditions for the moving contact line problem in another window
Journal Articles

Nested stochastic simulation algorithm for chemical kinetic systems with disparate rates

Weinan E, Di Liu, Eric Vanden-Eijnden
Journal: The Journal of Chemical Physics
J. Chem. Phys. 123, 194107 (2005)
https://doi.org/10.1063/1.2109987
Published: November 2005
View article titled, Nested stochastic simulation algorithm for chemical kinetic systems with disparate rates
Open the PDF for Nested stochastic simulation algorithm for chemical kinetic systems with disparate rates in another window
Journal Articles

Transition pathways in complex systems: Application of the finite-temperature string method to the alanine dipeptide

Weiqing Ren, Eric Vanden-Eijnden, Paul Maragakis, Weinan E
Journal: The Journal of Chemical Physics
J. Chem. Phys. 123, 134109 (2005)
https://doi.org/10.1063/1.2013256
Published: October 2005
View article titled, Transition pathways in complex systems: Application of the finite-temperature string method to the alanine dipeptide
Open the PDF for Transition pathways in complex systems: Application of the finite-temperature string method to the alanine dipeptide in another window
Journal Articles

Energy landscape and thermally activated switching of submicron-sized ferromagnetic elements

Weinan E, Weiqing Ren, Eric Vanden-Eijnden
Journal: Journal of Applied Physics
J. Appl. Phys. 93, 2275–2282 (2003)
https://doi.org/10.1063/1.1536737
Published: February 2003
View article titled, Energy landscape and thermally activated switching of submicron-sized ferromagnetic elements
Open the PDF for Energy landscape and thermally activated switching of submicron-sized ferromagnetic elements in another window