Xiangyu Jia

5PUBLICATIONS
5CO-AUTHORS
Metabolic medicineTheoretical quantum chemistryChemical thermodynamics and energeticsComputational chemistry
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Publications (5)

|Apr 14, 2021
Free energy change estimation: The Divide and Conquer MBAR method.

Xiangyu Jia, Hu Ge, Ye Mei

|Aug 22, 2019
Solvation Free Energy Calculations: The Combination between the Implicitly Polarized Fixed-charge Model and the Reference Potential Strategy.

Xiangyu Jia

|Jan 11, 2019
Solvation Free Energy Calculation Using a Fixed-Charge Model: Implicit and Explicit Treatments of the Polarization Effect.

Xiangyu Jia, Pengfei Li

|Oct 19, 2018
Accelerated Computation of Free Energy Profile at ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semi-Empirical Reference Potential. I. Weighted Thermodynamics Perturbation.

Pengfei Li, Xiangyu Jia, Xiaoliang Pan

|Oct 03, 2018
Efficient Computation of Free Energy Surfaces of Diels⁻Alder Reactions in Explicit Solvent at Ab Initio QM/MM Level.

Pengfei Li, Fengjiao Liu, Xiangyu Jia

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Frequent Collaborators

2 joint publications

Yihan Shao

2 joint publications

Ye Mei

1 joint publications

Pengfei Li

1 joint publications

Fengjiao Liu