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- PotentialLearning.jl Public
An open source Julia library for active learning of interatomic potentials in atomistic simulations of materials. It incorporates elements of bayesian inference, machine learning, differentiable programming, software composability, and high-performance computing.
- AtomisticQoIs.jl Public
Methods for computing expectation-valued quantities of interest (QoIs) from molecular dynamics simulation.
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- Atomistic.jl Public
Package that provides a integrated Julia workflow for molecular dyanmics simulations.
- lammps Public Forked from lammps/lammps
Public development project of the LAMMPS MD software package
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