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Journal of Chemical Theory and Computation|December 9, 2020
DeePKS: A Comprehensive Data-Driven Approach toward Chemically Accurate Density Functional TheoryYixiao Chen, Linfeng Zhang, Han Wang, et al.The Journal of Physical Chemistry. A|August 14, 2020
Ground State Energy Functional with Hartree-Fock Efficiency and Chemical AccuracyYixiao Chen, Linfeng Zhang, Han Wang, et al.The Journal of Chemical Physics|October 15, 2005
Transition pathways in complex systems: Application of the finite-temperature string method to the alanine dipeptideWeiqing Ren, Eric Vanden-Eijnden, Paul Maragakis, et al.The Journal of Chemical Physics|June 9, 2014
Order-parameter-aided temperature-accelerated sampling for the exploration of crystal polymorphism and solid-liquid phase transitionsTang-Qing Yu, Pei-Yang Chen, Ming Chen, et al.The Journal of Chemical Physics|July 25, 2018
DeePCG: Constructing coarse-grained models via deep neural networksLinfeng Zhang, Jiequn Han, Han Wang, et al.Physical Review Letters|April 26, 2018
Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum MechanicsLinfeng Zhang, Jiequn Han, Han Wang, et al.Physical Review Letters|May 21, 2010
Nucleation of ordered phases in block copolymersXiuyuan Cheng, Ling Lin, Weinan E, et al.The Journal of Chemical Physics|January 16, 2022
Accurate parameterization of the kinetic energy functional for calculations using exact-exchangeShashikant Kumar, Babak Sadigh, Siya Zhu, et al.Journal of Chemical Information and Modeling|September 28, 2024
Accurate Conformation Sampling via Protein Structural DiffusionJiahao Fan, Ziyao Li, Eric Alcaide, et al.Nature Computational Science|January 4, 2024
Efficient sampling of high-dimensional free energy landscapes using adaptive reinforced dynamicsDongdong Wang, Yanze Wang, Junhan Chang, et al.Pageof 7