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  1. No Access

    Article

    Modelling non-adiabatic processes using correlated electron-ion dynamics

    Here we survey the theory and applications of a family of methods (correlated electron-ion dynamics, or CEID) that can be applied to a diverse range of problems involving the non-adiabatic exchange of energy ...

    E. J. McEniry, Y. Wang, D. Dundas, T. N. Todorov… in The European Physical Journal B (2010)

  2. No Access

    Article

    Carbon nanotubes as long ballistic conductors

    Early theoretical work on single-walled carbon nanotubes1,2,3 predicted that a special achiral subset of these structures known as armchair nanotubes3 should be metallic. Tans et al.4 have recently confirmed thes...

    C. T. White, T. N. Todorov in Nature (1998)

  3. No Access

    Chapter

    Mechanical and Electrical Properties of Metallic Contacts

    A range of molecular dynamics simulations (reviewed in [1]) has been carried out to study adhesion, sintering, friction and fracture between a metallic nanoscale tip and a flat metallic substrate. Long-range N...

    A. P. Sutton, T. N. Todorov in Computations for the Nano-Scale (1993)