Professor Jing Yang
Imperial College London
Department: Materials
Institution: Imperial College London
Email: j.yang@imperial.ac.uk
Phone:
Website: Jing Yang | About | Imperial College London
Research summary
My research focuses on computational materials design. I’m especially interested in bridging the gap between atomistic modelling and the macroscopic properties of materials in order to achieve their rational design. To do this, I develop multi-scaling models which combine density functional theory method with cluster expansion, machine learning potential, Monte Carlo simulation, finite-element methods, or thermodynamic modelling. I use these models to understand the atomistic processes at electrochemical interfaces, with applications to alloy corrosion and electro-catalysis.
Keywords
Density functional theory, machine learning, multi-scale modeling, alloy corrosion, electrochemistry