Mathematical & Theoretical Chemistry

The aim of the Mathematical & Theoretical Chemistry group is to tackle fundamental problems in Chemistry and Physics using Mathematical techniques. The group's interest lies at the interface between physics and chemistry, and mainly focus on developing simple approximations that are accurate enough to have chemical and physical usefulness.

By solving the Schrodinger equation, one can predict all of the chemistry and most of the physics of a given system. However, although this statement is true and philosophically important, it was realised many years ago that, for more than one electron, it is usually far too difficult from the mathematical point of view to solve this mighty equation. As Dirac pointed out, "The aim of science is to make difficult things understandable in a simpler way". Consequently, it is essential to develop simple approximations that are accurate enough to have chemical and physical usefulness. The research projects of the Mathematical & Theoretical Chemistry group follow this line of conduct. In the group, we use Mathematical techniques and methods to design and study new paradigms which will eventually become useful for chemists and physicists to develop new theoretical and/or computational methods.

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Updated:  23 September 2017/Responsible Officer:  Director, RSC/Page Contact:  Web Admin, RSC