Asosiy kontentga oʻtish
AkademIndex

Xizmatlar

Michele Parrinello

14 ta ish

Italian Institute of Technology

AkademScholarda batafsil koʻrsatkichlar

  1. Polymorphic transitions in single crystals: A new molecular dynamics method

    Michele Parrinello, A. Rahman

    Maqola198131 iqtibos
    ABI

  2. Canonical sampling through velocity rescaling

    Giovanni Bussi, Davide Donadio, Michele Parrinello

    MaqolaOchiq kirish200727 iqtibos
    ABI

  3. <i>Ab</i> <i>initio</i> molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals

    Michiel Sprik, Jürg Hutter, Michele Parrinello

    Maqola19963 iqtibos
    ABI

  4. Promoting transparency and reproducibility in enhanced molecular simulations

    Massimiliano Bonomi, Mattia Bernetti, Andrea Cesari +79

    Maqola20193 iqtibos
    ABI

  5. Assessing the Reliability of the Dynamics Reconstructed from Metadynamics

    Matteo Salvalaglio, Pratyush Tiwary, Michele Parrinello

    Maqola20143 iqtibos
    ABI

  6. Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

    Alessandro Barducci, Giovanni Bussi, Michele Parrinello

    Maqola20083 iqtibos
    ABI

  7. From Metadynamics to Dynamics

    Pratyush Tiwary, Michele Parrinello

    Maqola20133 iqtibos
    ABI

  8. Crystal Structure and Pair Potentials: A Molecular-Dynamics Study

    Michele Parrinello, A. Rahman

    Maqola19802 iqtibos
    ABI

  9. Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces

    Jörg Behler, Michele Parrinello

    Maqola20072 iqtibos
    ABI

  10. Unified Approach for Molecular Dynamics and Density-Functional Theory

    Roberto Car, Michele Parrinello

    Maqola19852 iqtibos
    ABI

  11. Kinetics of protein–ligand unbinding: Predicting pathways, rates, and rate-limiting steps

    Pratyush Tiwary, Vittorio Limongelli, Matteo Salvalaglio +1

    Maqola20152 iqtibos
    ABI

  12. Escaping free-energy minima

    Alessandro Laio, Michele Parrinello

    Maqola20022 iqtibos
    ABI

  13. A Time-Independent Free Energy Estimator for Metadynamics

    Pratyush Tiwary, Michele Parrinello

    Maqola20142 iqtibos
    ABI

  14. Exploring Lithium Diffusion in LiF with Machine Learning Potentials: From Point Defects to Collective Ring Diffusion

    Paolo De Angelis, Umberto Raucci, Francesco Mambretti +4

    PreprintOchiq kirishSemiconductor materials and interfacesnpj Computational Materials20250 iqtibos
    ABI