published Published about 1 month ago
The Alamo multiphysics solver for phase field simulations with strong-form mechanics and block structured adaptive mesh refinement
Roff Python C++
@bsrunnels
published Published about 1 year ago
nimCSO: A Nim package for Compositional Space Optimization
Nim Python
@amkrajewski
published Published about 1 year ago
AutoBZ.jl: Automatic, adaptive Brillouin zone integration using Wannier interpolation
Julia
@lxvm
published Published over 1 year ago
PAPRECA: A parallel hybrid off-lattice kinetic Monte Carlo/molecular dynamics simulator
C++ C
@sntioudis
published Published over 2 years ago
brains-py, A framework to support research on energy-efficient unconventional hardware for machine learning
Python
@ualegre
published Published over 2 years ago
The Generalized Green's function Cluster Expansion: A Python package for simulating polarons
Python
@matthewcarbone
published Published over 2 years ago
Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files
Python Jupyter Notebook
published Published over 2 years ago
spgrep: On-the-fly generator of space-group irreducible representations
Python
@lan496
published Published over 3 years ago
smol: A Python package for cluster expansions and beyond
Python Cython
@lbluque
published Published over 3 years ago
@the-hampel
