Repositories list

• material_agent

  Public
  Python

  •7•22•2•0•Updated Feb 18, 2026Feb 18, 2026

• mist-demo

  Public
  Fine-tuning and applying MIST (Molecular Insight SMILES Transformer) foundation models to chemical problems.

  Jupyter Notebook

  •

  Apache License 2.0

  •0•1•1•0•Updated Feb 17, 2026Feb 17, 2026

• IaC

  Public
  infrastructure-as-code demo for programmable cloud lab

  Python

  •0•0•0•0•Updated Feb 11, 2026Feb 11, 2026

• diff-phys-flux-limiter

  Public
  C++

  •0•0•0•0•Updated Feb 4, 2026Feb 4, 2026

• asimtools

  Public
  Optimized workflow management and script handling for atomistic simulations

  Python

  •

  MIT License

  •2•6•7•0•Updated Feb 3, 2026Feb 3, 2026

• DiffEC

  Public
  Differentiable Electrochemistry Simulation Supporting Diffusion, Migration and Convection

  Jupyter Notebook

  •

  MIT License

  •1•8•0•0•Updated Jan 27, 2026Jan 27, 2026

• smirk

  Public
  An Atomically Complete Tokenizer for Molecular Foundation Models

  Rust

  •

  Apache License 2.0

  •1•11•0•0•Updated Jan 25, 2026Jan 25, 2026

• BattModels.github.io

  Public
  Venkat Viswanathan's Electrochemical Energy Group at UM

  TeX

  •

  Other

  •9•1•3•0•Updated Jan 15, 2026Jan 15, 2026

• Clio

  Public
  Python

  •

  MIT License

  •0•1•0•0•Updated Jan 14, 2026Jan 14, 2026

• SALSA

  Public
  SALSA: A low-cost self-driving lab for salt solubility assessment for battery electrolytes

  Jupyter Notebook

  •0•1•0•0•Updated Jan 9, 2026Jan 9, 2026

• ArtemisUsers

  Public
  Docs for the Artemis Cluster

  HTML

  •0•0•0•0•Updated Dec 10, 2025Dec 10, 2025

• AE729

  Public
  Electrochemical Energy Storage Systems course website

  Jupyter Notebook

  •0•0•0•0•Updated Dec 8, 2025Dec 8, 2025

• hpc-101-profile

  Public
  Profiling demos in Python and Julia.

  Python

  •

  MIT License

  •0•0•0•0•Updated Nov 24, 2025Nov 24, 2025

• CLOUD

  Public
  Python

  •

  MIT License

  •2•6•0•0•Updated Nov 21, 2025Nov 21, 2025

• atomistic-potentials

  Public
  Repo to store interatomic potentials developed through machine learning and corresponding training data

  MIT License

  •0•0•0•0•Updated Aug 22, 2025Aug 22, 2025

• Diffthermo_OCV_paper

  Public
  diffthermo, a python package for thermodynamically consistent OCV model construction

  Python

  •

  MIT License

  •1•12•0•0•Updated Aug 15, 2025Aug 15, 2025

• __test_review__

  Public
  Jupyter Notebook

  •0•0•0•0•Updated Jul 14, 2025Jul 14, 2025

• CFn-MLIP-2025

  Public
  0•0•0•0•Updated May 30, 2025May 30, 2025

• pnp_kinetics

  Public
  Solve steady state Poisson-Nernst-Planck equation coupled with high-dimensional rate models for generating high throughput voltammograms.

  Python

  •0•3•0•0•Updated Sep 6, 2024Sep 6, 2024

• incepts-website

  Public
  Incepts Website

  HTML

  •

  Other

  •0•0•0•2•Updated Sep 3, 2024Sep 3, 2024

• evse-scaling-behavior

  Public
  Source code and interactive map for "Scaling Behavior for Electric Vehicle Chargers and Road Map to Addressing the Infrastructure Gap"

  Jupyter Notebook

  •

  GNU General Public License v2.0

  •0•2•0•0•Updated Aug 27, 2024Aug 27, 2024

• iron_electrowinning_mapping

  Public
  MIT License

  •0•1•0•0•Updated Jul 28, 2024Jul 28, 2024

• DiffMix-NatCommData

  Public
  Other

  •0•2•0•0•Updated Jul 8, 2024Jul 8, 2024

• mhcd_ttlg

  Public
  Calculating MHC+DOS+QC rates for twisted trilayer graphene system

  grapheneinterfaceselectrochemistry+ 1condensed-matter-physics

  Julia

  •0•3•0•0•Updated May 10, 2024May 10, 2024

• ttlg_dos

  Public
  Generating DOS files the twisted trilayer graphene system

  MATLAB

  •0•0•0•0•Updated Apr 28, 2024Apr 28, 2024

• trilayer_stacked

  Public
  Generating DOS and MHC-DOS rates for ABA and ABC stacked trilayer graphene

  MATLAB

  •0•0•0•0•Updated Apr 28, 2024Apr 28, 2024

• GASP-python

  Public
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.

  Python

  •

  MIT License

  •30•0•0•0•Updated Apr 5, 2024Apr 5, 2024

• DFT-FE-benchmark

  Public
  repository for running DFT-FE benchmark simulations

  0•0•0•0•Updated Dec 20, 2023Dec 20, 2023

• EK_paper

  Public
  Code to do analysis and generate figures in the ElectrochemicalKinetics.jl manuscript

  Julia

  •0•0•0•0•Updated Aug 9, 2023Aug 9, 2023

• ElectrochemicalKinetics.jl

  Public
  Electrochemical reaction rate modeling and nonequilibrium phase maps (via AD)

  Julia

  •

  MIT License

  •8•23•5•1•Updated Jul 13, 2023Jul 13, 2023