A Density-Consistent, Finite van der Waals Potential from Gaussian Atomic Densities
The Journal of Physical Chemistry Letters Published online 6 October 2026
Research / Publications
Publications.
Peer-reviewed articles, manuscripts, and conference abstracts.
Published work
STK38/L promote tissue growth and cancer by inhibiting the Hippo pathway
Genes & Development 40(13–14), 1080–1098
DEGAUSS: A Novel Softcore Force Field Using Double Exponential van der Waals and Gaussian Charge for Molecular Dynamics Simulations I: Theory and Validation
Journal of Chemical Theory and Computation 21(22), 11657–11668
Optimization of Lennard–Jones Parameters for Induced Dipole Polarizable Gaussian Multipole Force Field
The Journal of Physical Chemistry B 129(42), 10985–10997
Isotropic Periodic Sum for Polarizable Gaussian Multipole Model
Journal of Chemical Theory and Computation 21(8), 4040–4050
Automated Refinement of Property-Specific Polarizable Gaussian Multipole Water Models Using Bayesian Black-Box Optimization
Journal of Chemical Theory and Computation 21(7), 3563–3575
Performance Tuning of Polarizable Gaussian Multipole Model in Molecular Dynamics Simulations
Journal of Chemical Theory and Computation 21(2), 847–858
Functional annotation of the Hippo pathway somatic mutations in human cancers
Nature Communications 15, 10106
Optimal Scheme to Achieve Energy Conservation in Induced Dipole Models
Journal of Chemical Theory and Computation 19(15), 5047–5057