Materials Design Group at Imperial College London

Accelerated discovery of functional materials
기능성 재료의 발견을 가속하다

Clean energy technology can be low cost, high performance, and sustainable. The current limitation is materials rather than devices – something we aim to fix.

We are an academic research group focused on the chemical design and optimisation of crystalline materials using computer simulation techniques. We combine first-principles electronic structure theory with multi-scale methods and data-driven (machine learning) approaches. Our current interests include the description of temperature, defects and disorder on chemistry and physics in the solid state.

The group is based at Imperial College London (UK) with a satellite laboratory at Yonsei University (South Korea).


Current research topics include: