Materials integrated computation and intelligent design
Database, Modelbase, High-throughput Compuations, Data Mining, Machine Learning, and Artificial Intelligence
Database
Curated database for data standardization and sharing based on high-throughput compuations and combinational experiments.
Modelbase
Surrogate models for materials prediction and design through multiscale, multivariable and multiobjective optimization.
Software
Robust softwares for atomistic modelling and simulation, thermodynamics and kinetics, as well as tools for database, data-mining, and machine-learning.