Xiangyu Jia

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2021
Publications (10 Years): 5

Top Topics

Density Functional Theory

Dendritic Cells

Machine Learning

Molecular Dynamics Simulations

Top Venues

Journal of computational chemistry

The journal of physical chemistry. B

Molecules (Basel, Switzerland)

Journal of chemical theory and computation

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

Publications

Xiangyu Jia, Hu Ge, Ye Mei
Free energy change estimation: The Divide and Conquer MBAR method. Journal of computational chemistry 42 (17) (2021)
Xiangyu Jia, Pengfei Li
Solvation Free Energy Calculation Using a Fixed-Charge Model: Implicit and Explicit Treatments of the Polarization Effect. The journal of physical chemistry. B 123 (5) (2019)
Xiangyu Jia
Solvation Free Energy Calculations: The Combination between the Implicitly Polarized Fixed-charge Model and the Reference Potential Strategy. Journal of computational chemistry 40 (32) (2019)
Pengfei Li, Fengjiao Liu, Xiangyu Jia, Yihan Shao, Wenxin Hu, Jun Zheng, Ye Mei
Efficient Computation of Free Energy Surfaces of Diels⁻Alder Reactions in Explicit Solvent at Ab Initio QM/MM Level. Molecules (Basel, Switzerland) 23 (10) (2018)
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)