Microkinetic models for electrochemical CO stripping and hydrogen oxidation
☆15Oct 17, 2020Updated 5 years ago
Alternatives and similar repositories for Electrocatalysis-microkinetic-analysis
Users that are interested in Electrocatalysis-microkinetic-analysis are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 4 months ago
- A general linear model for microkinetic catalytic systems.☆10Feb 8, 2023Updated 3 years ago
- In this repository, we will summarise the procedure of theoretical simulation in electrocatalytic system, it will be a huge task, but it …☆14Feb 23, 2021Updated 5 years ago
- This is the Python code and original data of "Machine-Learning Guided Discovery and Optimization of Additives in Preparing Cu Catalyst fo…☆10Mar 16, 2023Updated 3 years ago
- A program to automatically generate volcano plots for catalysis.☆15Dec 6, 2024Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆14Oct 27, 2015Updated 10 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated last year
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Magnetic critical temperature Calculator☆18Apr 2, 2024Updated last year
- Script version of Soft Potato, the electrochemistry simulator.☆11Dec 17, 2025Updated 3 months ago
- ASE interface for fully constant potential with VASP☆42Oct 14, 2024Updated last year
- It is a FORTRAN utilities library, which is to help the FORTRAN developers to put more efforts on the physics software development.☆15Mar 7, 2017Updated 9 years ago
- A cross-platform thermodynamics program for geologists, written in Fortran and C☆12Apr 20, 2010Updated 15 years ago
- CuPd cluster expansion calculations☆12Oct 27, 2016Updated 9 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Aug 6, 2021Updated 4 years ago
- Python scripts to perform electrochemistry simulations.☆13Nov 20, 2025Updated 4 months ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆27May 25, 2023Updated 2 years ago
- 2D/3D Ising model, XY model☆10Sep 30, 2024Updated last year
- An R package framework for accessing biological and chemical databases and developing or extending new connectors.☆13Dec 6, 2022Updated 3 years ago
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 6 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Aug 5, 2020Updated 5 years ago
- ☆11Nov 3, 2019Updated 6 years ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆26Mar 22, 2026Updated last week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Code to convert DFPT modes in OUTCAR files to VESTA images☆26Aug 14, 2022Updated 3 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆34Nov 10, 2024Updated last year
- ☆24Nov 10, 2020Updated 5 years ago
- ☆30Dec 27, 2024Updated last year
- Python wrappers for the Alloy Theoretic Automated Toolkit☆12Mar 19, 2013Updated 13 years ago
- Repository for the Software and Computing for Applied Physics Project☆13Nov 18, 2022Updated 3 years ago
- Python package to analyse electron density & electrostatic potential grids☆90Jan 10, 2026Updated 2 months ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Jan 6, 2025Updated last year
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 years ago
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Used to process CV data from CHI660E Electrochemical Workstation☆20Jun 21, 2019Updated 6 years ago
- Simulations primarily directed toward education, specifically developing intuition about how electrochemical systems behave.☆20Feb 19, 2021Updated 5 years ago
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆25Feb 14, 2025Updated last year
- Python code for twisting the 2D materials.☆30Dec 8, 2022Updated 3 years ago
- Robochem version 1.0☆17Jun 6, 2024Updated last year
- SOAP (Smooth Overlap of Atomic Positions) implementation with numpy☆11May 11, 2018Updated 7 years ago
- ☆30Jan 4, 2026Updated 2 months ago