2023
GenEvaPa: A generic evaporation package for modeling evaporation in molecular dynamics simulations.
Comput. Phys. Commun., 2023

2019
ACPYPE update for nonuniform 1-4 scale factors: Conversion of the GLYCAM06 force field from AMBER to GROMACS.
SoftwareX, 2019

2018
Directional Statistics of Preferential Orientations of Two Shapes in Their Aggregate and Its Application to Nanoparticle Aggregation.
Technometrics, 2018

2005
Systematic coarse-graining of atomistic models for simulation of polymeric systems.
Comput. Chem. Eng., 2005

1999
Automatic parameterization of force fields for liquids by simplex optimization.
J. Comput. Chem., 1999