Professor Harrison is head of the Computational Materials Science Group, which is based within the Department of Chemistry, Imperial College London.

Computational Materials Science Group Nanostructured Materials and Devices

Professor Harrison's current research is aimed at the use of computer simulations to aid the optimisation of materials and the discovery of new functional materials. Particular areas of interest include:

Serri M, Wu W, Fleet LR, et al., 2014, High-temperature antiferromagnetism in molecular semiconductor thin films and nanostructures, Nature Communications, Vol:5, ISSN:2041-1723 Robertson AW, Montanari B, He K, et al., 2013, Dynamics of single Fe atoms in graphene vacancies, Nano Letters, Vol:13, ISSN:1530-6984, Pages:1468-1475 Ahmad EA, Liborio L, Kramer D, et al., 2011, Thermodynamic stability of LaMnO3 and its competing oxides: A hybrid density functional study of an alkaline fuel cell catalyst, Physical Review B, Vol:84, ISSN:1098-0121 Warner JH, Ruemmeli MH, Ge L, et al., 2009, Structural transformations in graphene studied with high spatial and temporal resolution, Nature Nanotechnology, Vol:4, ISSN:1748-3387, Pages:500-504 Tomic S, Jones TS, Harrison NM, 2008, Absorption characteristics of a quantum dot array induced intermediate band: Implications for solar cell design, Applied Physics Letters, Vol:93, ISSN:0003-6951 Pisani L, Montanari B, Harrison NM, 2008, A defective graphene phase predicted to be a room temperature ferromagnetic semiconductor, New Journal of Physics, Vol:10, ISSN:1367-2630 Pisani L, Chan JA, Montanari B, et al., 2007, Electronic structure and magnetic properties of graphitic ribbons, Physical Review B, Vol:75, ISSN:1098-0121 Lindsay R, Wander A, Ernst A, et al., 2005, Revisiting the surface structure of TiO2(110): A quantitative low-energy electron diffraction study, Physical Review Letters, Vol:94, ISSN:0031-9007 Schmidt M, Ratcliff W, Radaelli PG, et al., 2004, Spin singlet formation in MgTi(2)O(4): Evidence of a helical dimerization pattern, Physical Review Letters, Vol:92, ISSN:0031-9007 Muscat J, Wander A, Harrison NM, 2001, On the prediction of band gaps from hybrid functional theory, Chemical Physics Letters, Vol:342, ISSN:0009-2614, Pages:397-401 Wander A, Schedin F, Steadman P, et al., 2001, Stability of polar oxide surfaces, Physical Review Letters, Vol:86, ISSN:0031-9007, Pages:3811-3814 Dubrovinsky LS, Dubrovinskaia NA, Swamy V, et al., 2001, Materials science - The hardest known oxide, Nature, Vol:410, ISSN:0028-0836, Pages:653-654 TOWLER MD, ALLAN NL, HARRISON NM, et al., 1994, AB-INITIO STUDY OF MNO AND NIO, Physical Review. B, Condensed Matter, Vol:50, ISSN:0163-1829, Pages:5041-5054