Andrew-S-Rosen/MKMlab

This repository has been archived on 23/May/2023
Stars
6
Rank 2,491,141 (Top 50 %)
Language
MATLAB
License
GNU General Publi...
Created over 7 years ago
Updated over 3 years ago

Andrew-S-Rosen/MKMlab

Andrew-S-Rosen

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

MATLAB program for microkinetic modeling in catalysis

QMOF

The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.

periodic_trends

Python script to plot periodic trends as a heat map over the periodic table of elements

quacc

A flexible platform for high-throughput, database-driven computational materials science and quantum chemistry.

mof_screen

High-throughput DFT of MOFs using ASE/VASP

mof-adsorbate-initializer

Python code to initialize adsorbates on MOFs

xtb_ase

A fully featured ASE calculator for xTB

coapy

A Python package to generate collaborator info for NSF COA forms

VaxChecker

Automatically query Vaxxmax for COVID-19 vaccines in your area