Publicaciones en las que colabora con Alberto Castro Barrigón (3)

2012

  1. Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small molecules

    Journal of Chemical Physics, Vol. 137, Núm. 22

2010

  1. Ab initio molecular dynamics on the electronic Boltzmann equilibrium distribution

    New Journal of Physics, Vol. 12

2009

  1. Modified ehrenfest formalism for efficient large-scale ab initio molecular dynamics

    Journal of Chemical Theory and Computation, Vol. 5, Núm. 4, pp. 728-742