The Cheng Group

To simulate processes on surfaces and at interfaces using first-principles methods

The Cheng Group

The research topics include electrochemistry, catalysis and aqueous chemistry

The Cheng Group

Modelling processes involved in energy conversion and storage

Group Introduction

My research in general is to simulate physical and chemical processes on surfaces and at interfaces using first-principles methods. The research topics include electrochemistry, catalysis and aqueous chemistry, and at present I am particularly interested in modelling processes involved in energy conversion and storage. The main computational tool I use is the one that I have developed with others in the last few years. The state-of-the-art method merges quantum mechanical and statistical mechanical techniques at a fundamental molecular level for computation of free energies of electron/proton transfer.

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