Hasan Metin Aktulga
0000-0003-3061-6378
6 papers found
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Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials
LAMMPS - A flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
Optimization of the Reax force field for the lithium–oxygen system using a high fidelity charge model
Fast and scalable evaluation of pairwise potentials
Toward scalable many-body calculations for nuclear open quantum systems using the Gamow Shell Model
Parallel Wideband MLFMA for Analysis of Electrically Large, Nonuniform, Multiscale Structures
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