electrolyte 开源项目推荐（22 个）

lammpstutorials /lammpstutorials.github.io

LAMMPS tutorials for both beginners and advanced users

NorthMcCormick /Polyonic

A managed Electron wrapper for Ionic Apps

BattModels /electrodep

MOOSE Application for simulation of electrodeposition in Li-ion batteries

simulkade /PhreeqcMatlab

Easily calling PhreeqcRM from Matlab

radioxoma /heval

Medical calculator for intensive care unit

elvissoares /PyDFTele

The Density Functional Theory for Electrolyte Solutions

HayesYu /EMolAgent

EMolAgent is an LLM-based computational chemistry AI assistant that integrates molecular cluster computation (structure construction & optimization + electronic property prediction) and RAG literature Q&A.

michaelschattgen /Endurance

A website to notify users whenever a fully booked SportCity class has a spot available

Mjboothaus /PhD-Thesis

Reimplementation of the code used in my PhD thesis - Charged fluids near interfaces: Integral equation theory

janarez /speed-of-sound

Predicting speed of sound in aqueous electrolytic solutions using machine learning.

nikhil0165 /one_plate_mgrf

Code for solving modified Gaussian renormalized fluctuation theory for a single charged surface

xmmmymm /electrolyte-ionization

《电解质的电离》交互式微观教学演示 | 离线 HTML + Three.js，3D 微观动画 + 2D 宏观电路，人教版高中化学必修第一册

nikhil0165 /two_plates_mgrf

Code for solving modified Gaussian renormalized fluctutation theory for a system of two charged plates

final-bench /open-materials-challenge

Open Materials Challenge: an open materials discovery competition. Submit a candidate crystal structure for a solid-state battery electrolyte and get it scored and ranked publicly.

RidgetopGroupInc /AEM-API

The AEM API provides researchers and developers with a way to interact programmatically with the Advanced Electrolyte Model software developed by Idaho National Laboratory (INL). The API facilitates the integration of AEM’s capabilities into other software solutions, enabling seamless automation and data analysis workflows.

FelixJiashengFu /chem-research-molastria

MolAstria · 计算化学研究导航：2,600+ 条资源每周更新、20 章讲解手册、46 种期刊投稿指南、27 个科学大模型、15 个机器学习势在线计算。A computational chemistry atlas: 2,600+ resources refreshed weekly, a 20-chapter handbook, 46 journals, 27 science models, a Model API with 15 ML potentials, quantum chemistry in the browser and an AI lab.

Rodolfo-Gallegos /Brownian-Dynamics-Simulation-OpenACC-OpenMP

This is my thesis work for the Bachelor's degree in Physics. / Este es mi trabajo de titulación para la Licenciatura en Física.

branneman /electrolyte-assembly-mapper

Assembly mapper and loader for Electrolyte

nikhil0165 /vapor_liquid_mgrf

Code to calculate the vapor-liquid interface in ionic fluids using modified Gaussian renormalized fluctuation theory

zineelabidine /solving-the-Pitzer-equation-using-Fminsearch-matlab-

thermodynamic modeling of phosphoric acid using "Pitzer equation" :