Advancing computational chemistry for accelerated discovery

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Advancing computational chemistry for accelerated discovery

매인이미지

With the unprecedented development of ever-fast growing computer technology and AI algorithms, computational chemistry is currently at an exciting stage where one can make reliable and fast predictions to discover new molecules and materials with desired properties. In our group, we develop machine learning algorithms and advanced simulation methods to accelerate novel chemical discovery. Current applications include energy conversion, storage, and generation, catalysis, carbon capture, organic and inorganic synthesis planning, and self-driving laboratories. 

Research focus

Ai chemical discovery
AI Chemical Discovery
ai for synthesis
AI for Synthesis
materials understanding
Materials Understanding
electronic structure methods
Electronic Structure Methods

Research Focus