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• 2010

  Hybrid Quantum/Classical Modeling of Material Systems: The “Learn on the Fly” Molecular Dynamics Scheme

  Moras, G., Choudhury, R., Kermode, J., Csanyi, G., Payne, M. C. & De Vita, A., 2010, Trends in Computational Nanomechanics: Transcending Length and Time Scales. Dumitrica, T. (ed.). Springer, Vol. 9. p. 1-23 23 p. (Challenges and Advances in Computational Chemistry and Physics; vol. 9).

  Research output: Chapter in Book/Report/Conference proceeding › Chapter

  • Molecular Dynamics 100%
  • Silicon 100%
  • Particle Size 50%
  • Utilization 50%
  • Concentration 25%
  3 Citations (Scopus)