ohearnk

Pinned Repositories

JAX-ReaxFF
JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
Language:Python58 6 1924
QUICK
QUICK: A GPU-enabled ab intio quantum chemistry software package
Language:C160 8 14845
QUICK-docs
Sphinx based documentation for QUICK QM package
0 3 59
OpenRAND
Reproducible random number generation for parallel computations
Language:C++26 1 42
PuReMD
Language:GLSL4 1 00
jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
Language:Jupyter Notebook00
JAX-ReaxFF
JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
Language:Python0 0 00
lammps
Public development project of the LAMMPS MD software package
Language:C++00
QUICK
QUICK: A GPU-enabled ab intio quantum chemistry software package
Language:C00
QUICK-docs
Sphinx based documentation for QUICK QM package
0 0 00

ohearnk's Repositories

ohearnk/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
Language:Jupyter Notebook00
ohearnk/JAX-ReaxFF
JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
Language:Python0 0 00
ohearnk/lammps
Public development project of the LAMMPS MD software package
Language:C++00
ohearnk/QUICK
QUICK: A GPU-enabled ab intio quantum chemistry software package
Language:C00
ohearnk/QUICK-docs
Sphinx based documentation for QUICK QM package
0 0 00