实验室简介
The Computational Catalysis and Materials Group lead by Dr. Liang Zhang focuses on developing theoretical frameworks and computational methods to accelerate materials discovery for energy and environmental applications. . In particular, we are interested in catalytic materials and other materials that enable efficient chemical functional transformation and energy storage. We run virtual experiments on High-Performance Computing (HPC) clusters, where chemical reactions and materials are simulated at the atomic scale.
Group Website: https://www.zhanglab-thu.com
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