Xinzijian Liu - Concepedia

Author

Xinzijian Liu

Peking University ORCID

Also Known As

Liu, Xinzijian, Xinzijian Liu

Publications

724

Citations

H-Index

Concepts

All Affiliations

Peking University Beijing National Laboratory for Molecular Sciences Jilin University Institute of Computing Technology Princeton University

About

Xinzijian Liu is an author at Peking University specializing in natural sciences, engineering, and computational chemistry.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	6	6	476
2	Natural Sciences	6	6	476
3	Molecular Biology	3	3	205
4	Chemistry	2	2	167
5	Data Science	1	1	81

Xinzijian Liu

Publications

684

Citations

H-Index

Page 1

	Year	Citations
Unified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular Dynamics Zhijun Zhang, Xinzijian Liu, Kangyu Yan, The Journal of Physical Chemistry A Thermal FluctuationsEngineeringThermostat AlgorithmsComputational ChemistryEnergy Minimization	2019	170
A simple and accurate algorithm for path integral molecular dynamics with the Langevin thermostat Jian Liu, De-Zhang Li, Xinzijian Liu The Journal of Chemical Physics EngineeringMolecular BiologyComputational ChemistryMolecular DynamicsMolecular Design	2016	111
DPA-2: a large atomic model as a multi-task learner Duo Zhang, Xinzijian Liu, Xiangyu Zhang, npj Computational Materials	2024	95
A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics Zhijun Zhang, Xinzijian Liu, Zifei Chen, The Journal of Chemical Physics Quantum DynamicEngineeringUnified Thermostat SchemeMany-body Quantum PhysicComputational Chemistry	2017	86
Pretraining of attention-based deep learning potential model for molecular simulation Duo Zhang, Hangrui Bi, Fu‐Zhi Dai, npj Computational Materials EngineeringMolecular BiologyComputational ChemistryChemistryMolecular Dynamics	2024	81
DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials Jinzhe Zeng, Duo Zhang, Anyang Peng, Journal of Chemical Theory and Computation	2025	45
Critical role of quantum dynamical effects in the Raman spectroscopy of liquid water Xinzijian Liu, Jian Liu Molecular Physics	2018	36
Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems Xinzijian Liu, Jian Liu The Journal of Chemical Physics	2017	21
Machine learning phase space quantum dynamics approaches Xinzijian Liu, Linfeng Zhang, Jian Liu The Journal of Chemical Physics Quantum DynamicQuantum ScienceEngineeringQuantum ComputingPhysics	2021	15
A leap-frog algorithm-based efficient unified thermostat scheme for molecular dynamics Zhijun Zhang, Kangyu Yan, Xinzijian Liu, Chinese Science Bulletin (Chinese Version) Numerical AnalysisEngineeringMolecular BiologyComputational ChemistryBiological Computing	2018	13

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