Name: Megan J. McCarthy (Meg)
Type: User
Bio: At Sandia National Labs (CSRI). Interests include the creation, care, and feeding of machine-learned interatomic potentials for molecular dynamics.
Location: New Mexico, USA
Blog: https://csri.sandia.gov/
Megan J. McCarthy (Meg)'s Projects
The official repository for the AiiDA code
Software for generating SNAP machine-learning interatomic potentials
FitSnap scripts for active learning workflows.
Kokkos C++ Performance Portability Programming Ecosystem: The Programming Model - Parallel Execution and Memory Abstraction
Public development project of the LAMMPS MD software package
Collection of LAMMPS plugins
PACE with compute_pace
From Drew Rohskopf: Simple introductions/tutorials on machine learned interatomic potentials (ML-IAPs).
SPPARKS Kinetic and Metropolis Monte Carlo simulator