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 - An On-The-Cloud Predictive Platform for Thermal + Electrocatalysis
Current Version: Link
Permanent DOI: Link
Related Publication: H. Liu, H. Zheng, Z. Jia, B. Zhou, Y. Liu, X. Chen, Y. Feng, L. Wei, W. Yang, and H. Li*, "The CatMath: An Online Predictive Platform for Thermal + Electrocatalysis", Frontiers of Chemical Science and Engineering, 2023, 17, 2156-2160. Link
Current Version: Link
Permanent DOI: Link
Related Publication: H. Liu, H. Zheng, Z. Jia, B. Zhou, Y. Liu, X. Chen, Y. Feng, L. Wei, W. Yang, and H. Li*, "The CatMath: An Online Predictive Platform for Thermal + Electrocatalysis", Frontiers of Chemical Science and Engineering, 2023, 17, 2156-2160. Link
Dynamic Database of Solid-State Electrolyte (DDSE)
Current Version: Link
Permanent DOI: Link
Related Publication: F. Yang, E. C. D. Santos*, X. Jia, R. Sato, K. Kisu, H. Yusuke, S. Orimo, and H. Li*, "A Dynamic Database of Solid-State Electrolyte (DDSE) Picturing All-Solid-State Batteries", Nano Materials Science, 2023. Link
Current Version: Link
Permanent DOI: Link
Related Publication: F. Yang, E. C. D. Santos*, X. Jia, R. Sato, K. Kisu, H. Yusuke, S. Orimo, and H. Li*, "A Dynamic Database of Solid-State Electrolyte (DDSE) Picturing All-Solid-State Batteries", Nano Materials Science, 2023. Link