Zhen Huang / About

About.

I am Zhen Huang (黄镇), a postdoctoral researcher in computational chemistry in the Luo Lab at the University of California, Irvine.

I develop Gaussian-density force fields and scientific software for molecular simulation. My work spans the polarizable Gaussian multipole (pGM) model, the DEGAUSS softcore potential, and Gaussian van der Waals interactions, together with their MPI and CUDA implementations in AMBER.

I also work on long-range electrostatics, energy conservation in polarizable models, free-energy calculations, and machine-learning interatomic potentials.

Education

Ph.D. in Chemistry · University of California, Irvine · 2021–2026

Advisor: Prof. Ray Luo. Research on Gaussian-density force fields for molecular dynamics.

B.S. in Chemistry · Southern University of Science and Technology · 2017–2021

Advisor: Prof. Yanggang Wang.

Beyond research

This site also has space for writing, game reviews, and literature.

Contact

zhenh7@uci.edu · GitHub · LinkedIn

Portrait of Zhen Huang

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Selected papers

A Density-Consistent, Finite van der Waals Potential from Gaussian Atomic DensitiesDEGAUSS: A Novel Softcore Force Field Using Double Exponential van der Waals and Gaussian Charge for Molecular Dynamics Simulations I: Theory and ValidationIsotropic Periodic Sum for Polarizable Gaussian Multipole ModelPerformance Tuning of Polarizable Gaussian Multipole Model in Molecular Dynamics SimulationsOptimal Scheme to Achieve Energy Conservation in Induced Dipole Models