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Dr Michael Peach

Lecturer

Michael Peach

Department of Chemistry

Lancaster University

Bailrigg

Lancaster LA1 4YB

United Kingdom

Tel: +44 1524 593387

Location: B5A, Faraday Building

Research overview

Theoretical Chemistry involves using the underlying physical laws that describe the interactions between subatomic particles, to describe the emergent behaviour of atoms and molecules (i.e., to describe Chemistry). The fundamental problem we have to overcome is the intractable nature of the equations we have to solve. To this end, we develop increasingly accurate and efficient methods that can provide significant insight into problems of chemical interest. My particular interests are in theoretical spectroscopy; that is, computing spectroscopic observables from first principles calculations. 

Research Interests

First-principles electronic structure theory involves the determination of the chemical and photo-physical properties of molecules or periodic solids using computational methods, from only knowledge of the constituent nuclei, and electrons moving in a Coulombic potential. The major challenge is to compute molecular properties that are directly comparable to experimental observables at least as accurately as they can be measured via experiment. To this end, we try to develop increasingly accurate and efficient computational methods that are widely applicable to problems of chemical interest.

My research is focused on the development of new methods in electronic structure theory, particularly those with application to outstanding problems in theoretical spectroscopy (for instance, I have particular interest in modeling the photo-physical characteristics of luminescent transition metal complexes). Much of this research involves characterising (and subsequently trying to improve) the accuracy of approximations available in density-functional theory, the most widely used of the first-principles techniques. I have collaborative links with colleagues with similar research interests both here in the UK, and in Germany, Norway and Belgium, and with experimentalists in Durham. A more in-depth discussion of my research interests can be found at my website www.peachspapers.com

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