Pinned Repositories
catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
VASP-script
VASP_BOND_FIX
Fixing bond length in relaxation process for VASP
CO-Reduction-Predictions
ML predictions of C-C coupling and carbon hydrogenation energies to predict CO reduction pathway
Chenists's Repositories
Chenists/VASP-script
Chenists/catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
Chenists/VASP_BOND_FIX
Fixing bond length in relaxation process for VASP