battmodels Goto Github PK

asimtools

Optimized workflow management and script handling for atomistic simulations

atomistic-potentials

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

automation-ev-range

All Code and Data for our Manuscript, "Trade-offs between automation and light vehicle electrification"

batteriesbase.jl

batterycost

Battery Cost Model developed in the Viswanathan group at Carnegie Mellon.

battmodels.github.io

Venkat Viswanathan's Electrochemical Energy Group at UM

cfx

Python scripts and structure files used in the manuscript "Beyond transition metal oxide cathodes for electric aviation: The case of rechargeable CFx"

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

clio-labviewcontrol

clio-natcommdata

clio-pythonapi

depye

A python code for EOS fitting and calculations of thermodynamics properties based on the Debye model with DFT uncertainty quantification functions.

dft-fe-benchmark

repository for running DFT-FE benchmark simulations

diffthermo_ocv_paper

diffthermo, a python package for thermodynamically consistent OCV model construction

eegmark

Benchmarking Suite for EEG Workloads

ek_paper

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

electrochemicalkinetics.jl

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

electrodep

MOOSE Application for simulation of electrodeposition in Li-ion batteries

evse-scaling-behavior

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

evtol

EVTOL battery sizing and energy consumption estimation scripts

fe-air

Fe-air cost model

gasp-python

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

incepts-website

Incepts Website

jax-thermo

A demo code for implementation of differentiable thermodynamic modeling in JAX.

li-lfp

lithiumvacancyordering

meltnet

A deep neural network predicting melting temperature of alloy with arbitrary composition

mhcd_ttlg

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

p2

pnp_kinetics

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