Welcome to the homepage of Dr. Nick Besley


I am an Associate Professor in Theoretical Chemistry here at the University of Nottingham. My group is interested in developing and applying quantum chemical methods to study a wide range of problems. For more information on my Research, see the "Research" sections.

I would welcome applications (from UK or EU) from students interested in a PhD position in my group.

Latest paper:

An empirical force field for the simulation of the vibrational spectroscopy of carbon nanomaterials

Pritesh M. Tailor, Richard J. Wheatley and Nicholas A. Besley published in Carbon

An empirical force field for carbon based upon the Murrell-Mottram potential is developed for the calculation of the vibrational frequencies of carbon nanomaterials. The potential is reparameterised using data from density functional theory calculations through a Monte-Carlo hessian-matching approach, and when used in conjunction with the empirical bond polarisability model provides an accurate description of the non-resonant Raman spectroscopy of carbon nanotubes and graphene. With the availability of analytical first and second derivatives, the computational cost of evaluating harmonic vibrational frequencies is a fraction of the cost of corresponding quantum chemical calculations, and makes the accurate atomistic vibrational analysis of systems with thousands of atoms possible. Subsequently, the non-resonant Raman spectroscopy of carbon nanotubes and graphene, including the role of defects and carbon nanotube junctions is explored.

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