Code and Database
Hero: Hessian Engineering for Atomistic Relaxation Optimization (HERO)
This is a toolkit that speeds up DFT optimization by tuning the Hessian information.
The package is currently in Beta-Version: Link.
Please contact Prof. Hao Li for permission and instructions to use these codes
This is a toolkit that speeds up DFT optimization by tuning the Hessian information.
The package is currently in Beta-Version: Link.
Please contact Prof. Hao Li for permission and instructions to use these codes
CatMath - Predictive microkinetic models for catalysis, with user-friendly Mathematica format
http://81.71.102.117:8080/
http://81.71.102.117:8080/
Dynamic Database of Solid-State Electrolyte (DDSE)
https://doi.org/10097/00137195
https://doi.org/10097/00137195
