Hasan Metin Aktulga

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger et al. · Computer Physics Communications · 2021 · 10.1K citations · Full text

The ReaxFF reactive force-field: development, applications and future directions

Thomas P. Senftle, Sungwook Hong, Md Mahbubul Islam et al. · npj Computational Materials · 2016 · 2.2K citations · Full text

Engineering, Mechanical Engineering, Material Simulation +18

AmberTools

David A. Case, Hasan Metin Aktulga, Kellon Belfon et al. · Journal of Chemical Information and Modeling · 2023 · 1.5K citations · Full text

Molecular Diversity, Engineering, Newer Features +11

Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques

Hasan Metin Aktulga, Joseph Fogarty, Sagar Pandit et al. · Parallel Computing · 2011 · 1K citations

Engineering, Parallel Programming, Computational Chemistry +5

A reactive molecular dynamics simulation of the silica-water interface

Joseph Fogarty, Hasan Metin Aktulga, Ananth Grama et al. · The Journal of Chemical Physics · 2010 · 527 citations

Interface Chemistry, Silica-water Interface, Engineering +12