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At Sandia National Labs (CSRI). Interests include the creation, care, and feeding of machine-learned interatomic potentials for molecular dynamics.
- New Mexico, USA
- https://csri.sandia.gov/
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lammps-user-pace
lammps-user-pace PublicForked from jmgoff/lammps-user-pace
PACE with compute_pace
C++
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lammps
lammps PublicForked from lammps/lammps
Public development project of the LAMMPS MD software package
C++
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spparks
spparks PublicForked from spparks/spparks
SPPARKS Kinetic and Metropolis Monte Carlo simulator
C
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FitSNAP
FitSNAP PublicForked from FitSNAP/FitSNAP
Software for generating SNAP machine-learning interatomic potentials
Python
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lammps-plugins
lammps-plugins PublicForked from lammps/lammps-plugins
Collection of LAMMPS plugins
C++
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rohskopf_NN_example
rohskopf_NN_example PublicForked from rohskopf/SimpleML-IAP
From Drew Rohskopf: Simple introductions/tutorials on machine learned interatomic potentials (ML-IAPs).
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