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This repository contains the data and scripts necessary to reproduce the results presented in the paper: **"Scalable molecular simulation of electrolyte solutions with quantum chemical accuracy"** …

Jupyter Notebook 42 2 Updated Jun 2, 2024

An open-source platform for automated storage of battery data with advanced metadata support

Python 35 8 Updated Feb 1, 2024

This repository contains the python code, redash image, and SQL queries to build a site like BatteryArchive.org on any Linux computer.

Jupyter Notebook 1 Updated Sep 10, 2021

Graphic user interface (GUI) for the battery database.

Python 16 4 Updated Feb 10, 2023

A module for extracting, transforming, and loading battery cycler data to a database.

Python 15 3 Updated Sep 12, 2024

Open-Source Battery Monitoring & Modeling Resources

7 3 Updated Feb 28, 2025
Jupyter Notebook 5 2 Updated Dec 11, 2024

Optimising Artificial SEI Formation in Li-S Batteries

Python 1 Updated Feb 14, 2021

Bayesian Optimal Experimental Design (OED) implementation for the Single-Particle Model with electrolyte (SPMe) Li-ion battery parameter inference problem.

Python 3 Updated Feb 18, 2025

Data-driven search for best electrolyte composition for long battery cycle life

Jupyter Notebook 2 Updated Mar 23, 2023

Generative Physics-Aware kMC surrogate for Electrolyte Modeling

Python 1 Updated Dec 5, 2024

• Aimed towards solving the tedious task of finding the coordination energies of batteries by using machine learning models

Jupyter Notebook 3 Updated Dec 18, 2022

Building MD simulations for polymer electrolyte system

Jupyter Notebook 3 Updated Aug 21, 2024

The WaterTAP Electrolyte Database (EDB)

Python 1 Updated Mar 27, 2024

This repository holds the codes used for the paper "Machine Learning-Assisted Bayesian Optimization for Discovery of Effective Additives for Dendrite Suppression in Lithium Metal Batteries"

Python 2 Updated Oct 15, 2024

Optimization of LIBs electrolyte using one shot active learning

Python 4 Updated May 19, 2022

Python code for running Bayesian optimization with high-throughput experiments for electrolyte optimization

Jupyter Notebook 3 1 Updated Mar 29, 2024

Workflow for Solid Electrolyte Interface (SEI) model within Active Learning approach

Jupyter Notebook 7 2 Updated May 13, 2024

Repository for predicting conductivities through Arrhenius parameters for polymer electrolytes.

Python 19 8 Updated Jul 29, 2024

BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simulations.

Python 52 14 Updated Jan 6, 2025

A collection of notebooks in support of the publication "A Database of Experimentally Measured Lithium Solid Electrolyte Conductivities Evaluated with Machine Learning"

Jupyter Notebook 20 4 Updated Oct 24, 2023

Workflow tools for electrolyte design project

Jupyter Notebook 6 1 Updated Oct 31, 2022

Electrolyte-Screening for battery materials

Python 5 Updated Oct 12, 2023

DFT Electrolyte dataset

4 Updated Nov 24, 2020

Database of electrolytes and their properties

Python 4 Updated Dec 30, 2024

This programming codes are written for a research paper entitled "Levelized cost of driving for medium and heavy-duty battery electric trucks" in R. The codes are "Licensed under the Academic Free …

R 1 Updated Mar 11, 2024

Very simple battery cost estimation. includes cell manufacturing cost and battery cost

Python 2 Updated Jul 12, 2024

Battery Opportunity Cost Minimisation

MATLAB 4 1 Updated Sep 4, 2024

Interactive model of cost sources for lithium-ion batteries, using Django + MySQL for full-stack web app development. See live demo at bit.ly/batterycost.

Jupyter Notebook 4 3 Updated Feb 24, 2020

Related cost model source code of the publication "Cost modeling for the GWh-scale production of modern lithium-ion battery cells"

Python 2 Updated Nov 5, 2024
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