Peter is Professor of Theory and Simulation of Materials, a post held jointly between the departments of Materials and Physics and associated with the Thomas Young Centre. His research interests focus on the development of new linear-scaling methods for performing large-scale first-principles quantum-mechanical simulations and their application to materials science, nanotechnology and biological systems. He is an author of the ONETEP code and was awarded the Maxwell Medal and Prize for Computational Physics by the Institute of Physics in 2010. He is the Director of the EPSRC Centre for Doctoral Training in Theory and Simulation of Materials, which offers at least ten funded PhD studentships each year.
Peter studied Natural Sciences at Christ's College, Cambridge, specialising in Theoretical Physics, and completed his doctorate in the Theory of Condensed Matter group at the Cavendish Laboratory in 1998. After that he held the Thomas Nevile Research Fellowship at Magdalene College, the Ramon Jenkins Senior Research Fellowship at Sidney Sussex College and was a Royal Society University Research Fellow from 2005 until 2013. He joined Imperial College London in June 2007.
et al., 2016, Single-electron induced surface plasmons on a topological nanoparticle, Nature Communications, Vol:7, ISSN:2041-1723
et al., 2015, Pressure-Induced Amorphization and a New High Density Amorphous Metallic Phase in Matrix-Free Ge Nanoparticles, Nano Letters, Vol:15, ISSN:1530-6984, Pages:7334-7340
Ratcliff LE, Hine NDM, Haynes PD, 2011, Calculating optical absorption spectra for large systems using linear-scaling density functional theory, Physical Review B, Vol:84, ISSN:2469-9950
et al., 2012, Fermi-level pinning can determine polarity in semiconductor nanorods, Physical Review B, Vol:85, ISSN:1098-0121
et al., 2013, Electrostatic considerations affecting the calculated HOMO-LUMO gap in protein molecules, Journal of Physics - Condensed Matter, Vol:25, ISSN:0953-8984
et al., 2013, Linear-scaling time-dependent density-functional theory in the linear response formalism, Journal of Chemical Physics, Vol:139, ISSN:0021-9606
et al., 2006, Are the structures of twist grain boundaries in silicon ordered at 0 K?, Physical Review Letters, Vol:96, ISSN:0031-9007
et al., 2006, ONETEP: linear-scaling density-functional theory with local orbitals and plane waves, Physica Status Solidi B - Basic Solid State Physics, Vol:243, ISSN:0370-1972, Pages:2489-2499
Cote M, Haynes PD, Molteni C, 2001, Boron nitride polymers: Building blocks for organic electronic devices, Physical Review B, Vol:63, ISSN:1098-0121
Haynes PD, Payne MC, 1997, Localised spherical-wave basis set for O(N) total-energy pseudopotential calculations, Computer Physics Communications, Vol:102, ISSN:0010-4655, Pages:17-27
Haynes PD, Payne MC, 1999, Corrected penalty-functional method for linear-scaling calculations within density-functional theory, Physical Review B, Vol:59, ISSN:1098-0121, Pages:12173-12176
et al., 2002, Nonorthogonal generalized Wannier function pseudopotential plane-wave method, Physical Review B, Vol:66, ISSN:1098-0121
et al., 2004, Structural relaxations in electronically excited poly(para-phenylene), Physical Review Letters, Vol:93, ISSN:0031-9007