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Dr. Nicholas Hine


I am an Associate Professor in the Theory Group in the Department of Physics. My research involves theory and simulation of nanomaterials. I am a developer of the ONETEP Linear-Scaling Density Functional Theory Package, which enables us to perform realistic simulations of large systems comprising thousands of atoms. This allows us to study complex systems such as proteins, heterostructure interfaces, layered materials, molecular crystals, and semiconductor nanocrystals. I moved to Warwick in 2015, having previously held research fellowships at the Cavendish Laboratory in Cambridge and at Imperial College London, where I completed my PhD in 2008.

Current Projects

I have research interests across a wide variety of topics involving simulation of materials, particularly in relation to energy materials (eg OPVs, TiO2), layered materials (eg TMDCs) and biological systems (eg light-harvesting complexes); A large part of my work involves theoretical spectroscopy, and excitations in complex systems, and interactions with the environment.

I recently co-organised the conference "Electronic Structure of 2D Materials" at Diamond Light Source, 18th-19th July 2017.


I am always looking to recruit excellent students welcome and I enquiries from interested candidates, particularly those with a strong inclination towards theoretical and computational methods, and an interest in simulation of nanomaterials. I am interested in hearing from prospective PhD students, particularly anyone who might be candidates for schemes such as as the Chancellor's International Fellowships. Please contact me if you are interested, and also see the Prospective Students page.

A visualisation of a 9000-atom segment of the Fenna Matthews Olson Pigment-Protein complex:

Other Research

Please do contact me also if you have ideas of your own that are amenable to study with large-scale electronic structure methods!


In 2017/18 I am teaching the following modules

Nicholas Hine

Contact details:

Address: Department of Physics, University of Warwick, Coventry, CV4 7AL

Office: PS140

Telephone: (+44) 02476 574415

Fax: (+44) 02476 523376