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Dr. Nicholas Hine

2018 URSS Projects

I am keen to supervise at least one URSS project this summer. I have a project in mind related to simulation of the optical-frequency excited states of molecules on surfaces, which will involve state-of-the-art simulation methods based on Linear-Scaling Time-Dependent Density Functional Theory, in collaboration with Reinhard Maurer. n dot d dot m dot hine at warwick dot ac dot uk if you are interested! Enquiries welcome not just from 2nd or 3rd year physics students, but also from the other science & engineering departments.


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 joined Warwick in 2015, having previously held research fellowships at the Cavendish Laboratory in Cambridge and at Imperial College London.

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