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Publications

Articles

  1. G. Singh, J. R. Kermode, A. De Vita and R. W. Zimmerman, Validity of linear elasticity in the crack-tip region of ideal brittle solids. Int. J. Frac. (2014).
  2. J. R. Kermode, G. Peralta, Z. Li and A. De Vita, Multiscale modelling of materials chemomechanics: brittle fracture of oxides and semiconductors. Procedia Mat. Sci. 3, 1681-1686 3 1681-1686 (2014).
  3. A. Gleizer, G. Peralta, J. R. Kermode, A. De Vita and D. Sherman, Dissociative Chemisorption of O2 Inducing Stress Corrosion Cracking in Silicon Crystals. Phys. Rev. Lett. 112, 115501 (2014). See also this research highlight and this article for a general audience.
  4. J.R. Kermode, L. Ben-Bashat, F. Atrash, J.J. Cilliers, D. Sherman and A. De Vita, Macroscopic scattering of cracks initiated at single impurity atoms. Nat. Commun. 4, 2441 (2013). See also this less technical summary.
  5. 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)
  6. 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
  7. N. Bernstein, J. R. Kermode and G. Csányi, Hybrid atomistic simulation methods for materials systems. Rep. Prog. Phys. 72, 026501 (2009)
  8. 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
  9. 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
  10. 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
  11. 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
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