Research Papers
J. R. Kermode, S. Cereda, P. Tangney and A. De Vita, A first principles based polarizable O(N) interatomic force field for bulk silica. J. Chem. Phys. 133, 094102 (2010)
N. Bernstein, J. R. Kermode and G. Csányi, Hybrid atomistic simulation methods for materials systems. Rep. Prog. Phys. 72, 026501 (2009)
J. R. Kermode, T. Albaret, D. Sherman, N. Bernstein, P. Gumbsch, M. C. Payne, G. Csányi and A. de Vita, Low speed fracture instabilities in a brittle crystal, Nature 455, 1224-1227 (2008). See also this less technical summary
Proceedings and Invited
G. Moras, R. Choudhury, J. R. Kermode, G. Csányi, M. C. Payne and A. De Vita, Hybrid Quantum/Classical Modeling of Material Systems: The Learn on the Fly Molecular Dynamics Scheme. In T. Dumitrica, editor, Trends in Computational Nanomechanics: Transcending Length and Time Scales (Springer, 2010) DOI 10.1007/978-1-4020-9785-0_1 ISBN 978-1-4020-9784-3
J. R. Kermode, S. Winfield, G. Csányi, and M. C. Payne, DFT Embedding and Coarse Graining Techniques. In J. Grotendorst, N. Attig, S. Blugel, D. Marx, editors, Multiscale Simulation Methods in Molecular Sciences (Juelich, 2009) ISBN 978-3-9810843-8-2 PDF
G. Csányi, G. Moras, J. R. Kermode, M. C. Payne, A. Mainwood and A. de Vita, Multiscale Modeling of Defects in Semiconductors: A Novel Molecular Dynamics Scheme. In D. A. Drabold and S. K. Estreicher, editors, Theory of Defects in Semiconductors (Springer, 2007) DOI 10.1007/11690320_9
G. Csányi, S. Winfield, J. R. Kermode, A. Comisso, A. de Vita, N. Bernstein and M. C. Payne, Expressive Programming for Computational Physics in Fortran 95+, IoP Comput. Phys. Newsletter, Spring 2007 PDF
PhD Thesis
PhD Thesis, Multiscale Hybrid Simulation of Brittle Fracture, J. R. Kermode, University of Cambridge (2008)
Selected Talks
May 2010 Fraunhofer IWM Seminar, Freiburg. Multiscale hybrid simulation of the brittle fracture of silicon and silica with the 'Learn on the Fly' technique
Nov 2008 Version Control Software, TCM Group, Cavendish Laboratory
Sept 2007 CCP2007, Conference on Computational Physics, Universite Libre de Brux-elles. Low Speed Instabilities in the Brittle Fracture of Silicon (Book of Abstracts, p. 76)
July 2006 CECAM workshop: Hybrid Atomistic Methods for Materials and Biological Systems, Lyon. Multiscale Hybrid Simulations of Brittle Fracture (Abstract)