Repositories

The Feugmo Group GitHub pages contain a variety of free and open-source tools f

• TorchDisorder :  Differentiable Amorphous Structure Generation from Scattering Data :   https://github.com/Feugmo-Group/torchdisorder 
• PINNACLE:   Physics-Informed Neural Networks Analyzing Corrosion Layers in Electrochemistry   https://github.com/Feugmo-Group/PINNACLE
• AGRA: Automatic graph representation algorithm for heterogeneous catalysis git@github.com:Feugmo-Group/AGRA.git
• ionax :  Classical DFT and DDFT for ionic systems — GPU-accelerated, differentiable, JAX-native https://github.com/Feugmo-Group/ionax.git

• NSEM  : Neural Spectral Element Methods for Electrochemical Transport : https://github.com/Feugmo-Group/nsem.git

• eis-microstructure : Electrochemical impedance computed directly from a 3-D electrode microstructure : https://github.com/Feugmo-Group/eis-microstructure.git

• EISPINN : Physics-Informed Neural Networks (PINNs) to model the alkaline Oxygen Evolution Reaction (OER): https://github.com/Feugmo-Group/EISPINN.git

• gfckit : General-Fractional-Calculus toolkit for data-driven identification of degradation memory kernels in batteries and corrosion.  https://github.com/Feugmo-Group/gfckit.git

• fluidax : General-purpose classical Density Functional Theory in JAX. : https://github.com/Feugmo-Group/fluidax.git

• porecdft :  porecdft is an open-source Python package for three-dimensional classical density functional theory (cDFT) of gas adsorption in nanoporous materials : https://github.com/Feugmo-Group/porecdft.git

• ANISRO :  Analytical Inverse Short-Range Order — a PyTorch package for designing High-Entropy Alloy (HEA) atomic configurations from target Warren–Cowley short-range-order (SRO) parameters, https://github.com/Feugmo-Group/ANISRO.git

• nlstefan :  Nonlocal (fractional) Stefan problems consistent formulations, solvers, exact benchmarks, and identifiability analysis for moving-boundary growth (SEI films, corrosion oxides, phase change) https://github.com/Feugmo-Group/NonlocStefan.git

• FRINO :  Fractional-Informed Neural Operator: differentiable fractional-order electrochemical transport in JAX https://github.com/Feugmo-Group/frino.git

• PFC-Density: Our phase field crystal implementation based on the density-based representation of free energy  https://github.com/Feugmo-Group/PFC-density