Résultat(s) 1 - 11 résultats de 11 pour la requête 'Nair, Nisanth N', Temps de recherche: 2,06s Affiner les résultats
  1. 1
    An interoperable implementation of collective-variable based enhanced sampling methods in extended phase space within the OpenMM package
    Autres auteurs: “...Nair, Nisanth N...”

    Article en ligne

  2. 2
    Improving the scaling and performance of multiple time stepping-based molecular dynamics with hybrid density functionals
    Autres auteurs: “...Nair, Nisanth N...”

    Article en ligne

  3. 3
    Exploration of high dimensional free energy landscapes by a combination of temperature-accelerated sliced sampling and parallel biasing
    Autres auteurs: “...Nair, Nisanth N...”

    Article en ligne

  4. 4
    Mean force based temperature accelerated sliced sampling Efficient reconstruction of high dimensional free energy landscapes
    Autres auteurs: “...Nair, Nisanth N...”

    Article en ligne

  5. 5
    Boosting the conformational sampling by combining replica exchange with solute tempering and well-sliced metadynamics
    Autres auteurs: “...Nair, Nisanth N...”

    Article en ligne

  6. 6
    Efficient computation of free energy surfaces of chemical reactions using ab initio molecular dynamics with hybrid functionals and plane waves
    Autres auteurs: “...Nair, Nisanth N...”

    Article en ligne

  7. 7
    Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics
    Autres auteurs: “...Nair, Nisanth N...”

    Article en ligne

  8. 8
    CPMD/GULP QM/MM interface for modeling periodic solids Implementation and its application in the study of Y-zeolite supported Rhn clusters
    Autres auteurs: “...Nair, Nisanth N...”

    Article en ligne

  9. 9
    A potential with low point charges for pure siliceous zeolites
    Autres auteurs: “...Nair, Nisanth N...”

    Article en ligne

  10. 10
    Interaction potential models for bulk ZnS, ZnS nanoparticle, and ZnS nanoparticle-PMMA from first-principles
    Autres auteurs: “...Nair, Nisanth N...”

    Article en ligne

  11. 11
    Molecular dynamics implementation in MSINDO study of silicon clusters
    Article

Outils de recherche: S'abonner aux flux RSS — Envoyer cette recherche par courriel