Zhen Huang / Research
Oct 6, 2026
A finite van der Waals potential derived from the same Gaussian atomic densities used for electrostatics, with a proof-of-concept test in polarizable water.
Jul 1, 2026
A study of how STK38/L kinases inhibit Hippo signaling and promote tissue growth and cancer.
Nov 14, 2025
A singularity-free force-field framework combining Gaussian-charge electrostatics and double-exponential van der Waals interactions for molecular dynamics and alchemical calculations.
Oct 8, 2025
Lennard–Jones parameter optimization for the pGM force field using dimer interaction energies and liquid properties.
Apr 7, 2025
An isotropic-periodic-sum treatment of Gaussian multipoles, validated against PME for polarizable molecular simulations.
Mar 20, 2025
Automated refinement of polarizable Gaussian multipole water parameters against liquid properties, with tests of thermodynamic properties beyond the training set.
Jan 8, 2025
MPI implementation and performance optimization of the polarizable Gaussian multipole model in AMBER, with accuracy and energy-conservation tests.
Nov 19, 2024
Co-first-author study of cancer-associated Hippo pathway mutations and the mechanisms underlying their effects on pathway function.
Jul 13, 2023
An induced-dipole convergence and iteration scheme designed to preserve energy conservation while using dipole prediction to accelerate polarization calculations.
