Publicaciones en colaboración con investigadores/as de Basque Center for Applied Mathematics (5)

2024

  1. Adaptive multi-stage integration schemes for Hamiltonian Monte Carlo

    Journal of Computational Physics, Vol. 502

2018

  1. Multi-stage splitting integrators for sampling with modified Hamiltonian Monte Carlo methods

    Journal of Computational Physics, Vol. 373, pp. 900-916

2017

  1. Adaptive Splitting Integrators for Enhancing Sampling Efficiency of Modified Hamiltonian Monte Carlo Methods in Molecular Simulation

    Langmuir, Vol. 33, Núm. 42, pp. 11530-11542

  2. Enhancing sampling in atomistic simulations of solid-state materials for batteries: a focus on olivine NaFePO 4

    Theoretical Chemistry Accounts, Vol. 136, Núm. 4

2016

  1. Adaptive multi-stage integrators for optimal energy conservation in molecular simulations

    Journal of Computational Physics, Vol. 327, pp. 434-449