Skip to content
Zhen Huang
← All publications

2026 / Manuscript under revision

DEGAUSS-3p: A Three-Site Water Model from Soft Gaussian-Charge Electrostatics and a Rare-Gas-Calibrated Double-Exponential Potential

Zhen Huang, et al.

Under revision

A three-site water model based on soft Gaussian-charge electrostatics and a rare-gas-calibrated double-exponential potential. Manuscript under revision, 2026.

Jump to

Explore

Home Research Molecular multipoles Alchemical transformations Publications About Writing Talks Games

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
↑ ↓ to move · Enter to open