Chunyi Zhang

7PUBLICATIONS
24CO-AUTHORS
Integrable systems (classical and quantum)Fluid-structure interaction and aeroacousticsComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Electrical energy generation (incl. renewables, excl. photovoltaics)Surface water hydrology
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Publications (7)

|Apr 13, 2026
fix pimd/langevin: An efficient implementation of path integral molecular dynamics in LAMMPS.

Yifan Li, Axel Gomez, Kehan Cai

|Nov 14, 2025
Infrared spectral signatures of interfacial water at TiO2-electrolyte interfaces from deep potential molecular dynamics.

Chunyi Zhang, Zheng Yu, Roberto Car

|Nov 13, 2025
Simulations of dielectric permittivity of water by machine learned potentials with long-range Coulombic interactions.

Kehan Cai, Chunyi Zhang, Xifan Wu

|Nov 26, 2024
Molecular-scale insights into the electrical double layer at oxide-electrolyte interfaces.

Chunyi Zhang, Marcos F Calegari Andrade, Zachary K Goldsmith

|Jul 15, 2022
Structural and dynamic properties of solvated hydroxide and hydronium ions in water from ab initio modeling.

Renxi Liu, Chunyi Zhang, Xinyuan Liang

|Feb 11, 2022
Dissolving salt is not equivalent to applying a pressure on water.

Chunyi Zhang, Shuwen Yue, Athanassios Z Panagiotopoulos

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Frequent Collaborators

5 joint publications

Xifan Wu

3 joint publications

Roberto Car

2 joint publications

Michael L Klein

2 joint publications

Kehan Cai