Xiaoliang Pan

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 17

Top Venues

Journal of chemical theory and computation

RSC advances

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

University of Oklahoma

Jilin University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Oklahoma Jan 04 2017

United States

Postdoctoral Researcher :: Department of Chemistry and Biochemistry

University of Arizona Mar 12 2013 - Dec 31 2016

United States

Postdoctoral Researcher :: Department of Chemistry and Biochemistry

Education History

Jilin University Sep 01 2007 - Dec 26 2012

China

PHD :: Institute of Theoretical Chemistry

Publications

Xiaoliang Pan, Ryan Snyder, Jia-Ning Wang, Chance Lander, Carly Wickizer, Richard Van, Andrew Chesney, Yuanfei Xue, Yuezhi Mao, Ye Mei, Jingzhi Pu, Yihan Shao
Training machine learning potentials for reactive systems: A Colab tutorial on basic models. Journal of computational chemistry (2023)
Songyuan Yao, Richard Van, Xiaoliang Pan, Ji Hwan Park, Yuezhi Mao, Jingzhi Pu, Ye Mei, Yihan Shao
Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations. RSC advances 13 (7) (2023)
Xiaoliang Pan, Richard Van, Jingzhi Pu, Kwangho Nam, Yuezhi Mao, Yihan Shao
Free Energy Profile Decomposition Analysis for QM/MM Simulations of Enzymatic Reactions. Journal of chemical theory and computation (2023)
Songyuan Yao, Richard Van, Xiaoliang Pan, Ji Hwan Park, Yuezhi Mao, Jingzhi Pu, Ye Mei, Yihan Shao
Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations. RSC advances 13 (7) (2023)
Songyuan Yao, Richard Van, Xiaoliang Pan, Ji Hwan Park, Yuezhi Mao, Jingzhi Pu, Ye Mei, Yihan Shao
Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations. RSC advances 13 (7) (2023)
Jia-Ning Wang, Yuanfei Xue, Pengfei Li, Xiaoliang Pan, Meiting Wang, Yihan Shao, Yan Mo, Ye Mei
Perspective: Reference-Potential Methods for the Study of Thermodynamic Properties in Chemical Processes: Theory, Applications, and Pitfalls. The journal of physical chemistry letters (2023)
Xiaoliang Pan, Richard Van, Evgeny Epifanovsky, Jian Liu, Jingzhi Pu, Kwangho Nam, Yihan Shao
Accelerating Ab Initio Quantum Mechanical and Molecular Mechanical (QM/MM) Molecular Dynamics Simulations with Multiple Time Step Integration and a Recalibrated Semiempirical QM/MM Hamiltonian. The journal of physical chemistry. B (2022)
Ryan Snyder, Bryant Kim, Xiaoliang Pan, Yihan Shao, Jingzhi Pu
Facilitating ab initio QM/MM free energy simulations by Gaussian process regression with derivative observations. Physical chemistry chemical physics : PCCP 24 (41) (2022)
Xiaoliang Pan, Junjie Yang, Richard Van, Evgeny Epifanovsky, Junming Ho, Jing Huang, Jingzhi Pu, Ye Mei, Kwangho Nam, Yihan Shao
Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions. Journal of chemical theory and computation 17 (9) (2021)
Xiaoliang Pan, Kwangho Nam, Evgeny Epifanovsky, Andrew C Simmonett, Edina Rosta, Yihan Shao
A simplified charge projection scheme for long-range electrostatics in ab initio QM/MM calculations. The Journal of chemical physics 154 (2) (2021)
Yuanfei Xue, Jia-Ning Wang, Wenxin Hu, Jun Zheng, Yongle Li, Xiaoliang Pan, Yan Mo, Yihan Shao, Lu Wang, Ye Mei
Affordable Ab Initio Path Integral for Thermodynamic Properties via Molecular Dynamics Simulations Using Semiempirical Reference Potential. The journal of physical chemistry. A 125 (50) (2021)
Jia-Ning Wang, Wei Liu, Pengfei Li, Yan Mo, Wenxin Hu, Jun Zheng, Xiaoliang Pan, Yihan Shao, Ye Mei
Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference Potential. 4. Adaptive QM/MM. Journal of chemical theory and computation 17 (3) (2021)
Wenxin Hu, Pengfei Li, Jia-Ning Wang, Yuanfei Xue, Yan Mo, Jun Zheng, Xiaoliang Pan, Yihan Shao, Ye Mei
Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference Potential. 3. Gaussian Smoothing on Density-of-States. Journal of chemical theory and computation 16 (11) (2020)
Xiaoliang Pan, Pengfei Li, Junming Ho, Jingzhi Pu, Ye Mei, Yihan Shao
Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matching. Physical chemistry chemical physics : PCCP 21 (37) (2019)
Hari R Khatri, Changho Han, Erica Luong, Xiaoliang Pan, Amna T Adam, Maali D Alshammari, Yihan Shao, David A Colby
Controlling the Cleavage of Carbon-Carbon Bonds To Generate α,α-Difluorobenzyl Carbanions for the Construction of Difluoromethylbenzenes. The Journal of organic chemistry 84 (18) (2019)
Pengfei Li, Xiangyu Jia, Xiaoliang Pan, Yihan Shao, Ye Mei
Accelerated Computation of Free Energy Profile at ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semi-Empirical Reference Potential. I. Weighted Thermodynamics Perturbation. Journal of chemical theory and computation 14 (11) (2018)
Xiaoliang Pan, Edina Rosta, Yihan Shao
Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM Calculations. Molecules (Basel, Switzerland) 23 (10) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Xiaoliang Pan