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The Journal of Chemical Physics
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March 17, 2018
Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems
Xinzijian Liu, Jian Liu
The Journal of Chemical Physics
|
July 9, 2021
Machine learning phase space quantum dynamics approaches
Xinzijian Liu, Linfeng Zhang, Jian Liu
The Journal of Chemical Physics
|
July 17, 2016
A simple and accurate algorithm for path integral molecular dynamics with the Langevin thermostat
Jian Liu, Dezhang Li, Xinzijian Liu
The Journal of Physical Chemistry. A
|
May 24, 2019
Unified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular Dynamics
Zhijun Zhang, Xinzijian Liu, Kangyu Yan, et al.
The Journal of Chemical Physics
|
July 24, 2017
A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics
Zhijun Zhang, Xinzijian Liu, Zifei Chen, et al.
Npj Computational Materials
|
August 25, 2025
DPA-2: a large atomic model as a multi-task learner
Duo Zhang, Xinzijian Liu, Xiangyu Zhang, et al.
Journal of Chemical Theory and Computation
|
May 2, 2025
DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials
Jinzhe Zeng, Duo Zhang, Anyang Peng, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
March 17, 2018
Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems
Xinzijian Liu, Jian Liu
The Journal of Chemical Physics
|
July 9, 2021
Machine learning phase space quantum dynamics approaches
Xinzijian Liu, Linfeng Zhang, Jian Liu
The Journal of Chemical Physics
|
July 17, 2016
A simple and accurate algorithm for path integral molecular dynamics with the Langevin thermostat
Jian Liu, Dezhang Li, Xinzijian Liu
The Journal of Physical Chemistry. A
|
May 24, 2019
Unified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular Dynamics
Zhijun Zhang, Xinzijian Liu, Kangyu Yan, et al.
The Journal of Chemical Physics
|
July 24, 2017
A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics
Zhijun Zhang, Xinzijian Liu, Zifei Chen, et al.
Npj Computational Materials
|
August 25, 2025
DPA-2: a large atomic model as a multi-task learner
Duo Zhang, Xinzijian Liu, Xiangyu Zhang, et al.
Journal of Chemical Theory and Computation
|
May 2, 2025
DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials
Jinzhe Zeng, Duo Zhang, Anyang Peng, et al.
Page
of 1