Han Wang (王涵)
Han Wang (王涵)
Institute of Applied Physics and Computational Mathematics
確認したメール アドレス: iapcm.ac.cn - ホームページ
Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics
L Zhang, J Han, H Wang, R Car, W E
arXiv preprint arXiv:1707.09571, 2017
Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
H Wang, C Junghans, K Kremer
The European Physical Journal E: Soft Matter and Biological Physics 28 (2 …, 2009
DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics
H Wang, L Zhang, J Han, W E
arXiv preprint arXiv:1712.03641, 2017
Active Learning of Uniformly Accurate Inter-atomic Potentials for Materials Simulation
L Zhang, DY Lin, H Wang, R Car, W E
arXiv preprint arXiv:1810.11890, 2018
Optimizing working parameters of the smooth particle mesh Ewald algorithm in terms of accuracy and efficiency
H Wang, F Dommert, C Holm
The Journal of chemical physics 133, 034117, 2010
Grand-canonical-like molecular-dynamics simulations by using an adaptive-resolution technique
H Wang, C Hartmann, C Schütte, L Delle Site
Physical Review X 3 (1), 011018, 2013
End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems
L Zhang, J Han, H Wang, WA Saidi, R Car, W E
arXiv preprint arXiv:1805.09003, 2018
DeePCG: constructing coarse-grained models via deep neural networks
L Zhang, J Han, H Wang, R Car, W E
arXiv preprint arXiv:1802.08549, 2018
Adaptive resolution simulation (AdResS): A smooth thermodynamic and structural transition from atomistic to coarse grained resolution and vice versa in a grand canonical fashion
H Wang, C Schütte, L Delle Site
Journal of Chemical Theory and Computation 8 (8), 2878-2887, 2012
Chemical potential of liquids and mixtures via adaptive resolution simulation
A Agarwal, H Wang, C Schütte, LD Site
The Journal of chemical physics 141 (3), 034102, 2014
Applications of the cross-entropy method to importance sampling and optimal control of diffusions
W Zhang, H Wang, C Hartmann, M Weber, C Schütte
SIAM Journal on Scientific Computing 36 (6), A2654-A2672, 2014
Molecular dynamics in a grand ensemble: Bergmann–Lebowitz model and adaptive resolution simulation
A Agarwal, J Zhu, C Hartmann, H Wang, L Delle Site
New Journal of Physics 17 (8), 083042, 2015
DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models
Y Zhang, H Wang, W Chen, J Zeng, L Zhang, H Wang, E Weinan
Computer Physics Communications 253, 107206, 2020
Reinforced dynamics for enhanced sampling in large atomic and molecular systems
L Zhang, H Wang, W E
The Journal of Chemical Physics, 2018
Crucial properties of the moment closure model FENE-QE
H Wang, K Li, P Zhang
Journal of Non-Newtonian Fluid Mechanics 150 (2-3), 80-92, 2008
An efficient adaptive mesh redistribution method for a non-linear Dirac equation
H Wang, H Tang
Journal of Computational Physics 222 (1), 176-193, 2007
Building Markov State Models for Periodically Driven Non-Equilibrium Systems
H Wang, C Schütte
Journal of Chemical Theory and Computation 11 (4), 1819-1831, 2015
Determining hydrodynamic boundary conditions from equilibrium fluctuations
S Chen, H Wang, T Qian, P Sheng
Physical Review E 92 (4), 043007, 2015
Exploring the conformational dynamics of alanine dipeptide in solution subjected to an external electric field: A nonequilibrium molecular dynamics simulation
H Wang, C Schütte, G Ciccotti, L Delle Site
Journal of Chemical Theory and Computation 10 (4), 1376-1386, 2014
Error estimate of short-range force calculation in inhomogeneous molecular systems
H Wang, C Schütte, P Zhang
Physical Review E 86 (2), 026704, 2012
論文 1–20