Concepedia

Pressure-driven Molecular Simulation

Pressure-Driven Molecular Simulation is a molecular simulation method in which the system's thermodynamic ensemble is controlled by maintaining a constant external pressure, typically through the application of a barostat, to study the structural and dynamic properties of matter under pressure-constrained conditions.

124

Publications

6.4K

Citations

376

Authors

195

Institutions

Publications per year

2017–2026

29

Variants

Constant-pressure Molecular SimulationNpt Molecular Simulation

Parents

Publications

124

Pressure control using stochastic cell rescaling

The Journal of Chemical Physics · 2020 · 865 citations · Full text

, , +14

Molecular dynamics simulations of water and biomolecules with a Monte Carlo constant pressure algorithm

Johan Åqvist, Petra Wennerström, Martin Nervall et al. · Chemical Physics Letters · 2003 · 597 citations

, , +14

Large breathing of the MOF MIL-47(VIV) under mechanical pressure: a joint experimental–modelling exploration

Pascal G. Yot, Qintian Ma, Julien Haines et al. · Chemical Science · 2011 · 203 citations

, , +13

A Stochastic Algorithm for the Isobaric–Isothermal Ensemble with Ewald Summations for All Long Range Forces

Michele Di Pierro, Ron Elber, Benedict Leimkuhler · Journal of Chemical Theory and Computation · 2015 · 201 citations

, , +16

Molecular Dynamics Simulation of Structural Transformation in Silicon Carbide under Pressure

Fuyuki Shimojo, Ingvar Ebbsjö, Rajiv K. Kalia et al. · Physical Review Letters · 2000 · 194 citations

, , +17

1–5 of 124

Authors

376

  1. AG
    Aziz Ghoufi

    Centre National de la Recherche Scientifique, France

    4 publications · 433 citations

    4

    h-index

  2. RC
    Roberto Cammi

    University of Parma, Italy

    3 publications · 181 citations

    3

    h-index

  3. TS
    Tim Stauch

    University of Bremen, Germany

    3 publications · 82 citations

    3

    h-index

  4. DZ
    Dirk Zahn

    Friedrich-Alexander-Universität Erlangen-Nürnberg, Germany

    3 publications · 53 citations

    3

    h-index

  5. GM
    Guillaume Maurin

    Centre National de la Recherche Scientifique, France

    3 publications · 345 citations

    3

    h-index

1–5 of 376

Institutions

195

  1. Centre National de la Recherche Scientifique

    Paris, France

    7 h-index

    23 publications

    1.7K citations

  2. Institut de Physique de Rennes

    Rennes, France

    5 h-index

    8 publications

    703 citations

  3. University of Bremen

    Bremen, Germany

    4 h-index

    6 publications

    136 citations

  4. Scuola Internazionale Superiore di Studi Avanzati

    Trieste, Italy

    4 h-index

    13 publications

    2.8K citations

  5. University of Amsterdam

    Amsterdam, The Netherlands

    3 h-index

    8 publications

    300 citations

  6. University College London

    London, United Kingdom

    3 h-index

    5 publications

    274 citations

  7. Lawrence Livermore National Laboratory

    Livermore, United States

    3 h-index

    12 publications

    209 citations

  8. The Abdus Salam International Centre for Theoretical Physics (ICTP)

    Trieste, Italy

    3 h-index

    4 publications

    353 citations

1–8 of 195

Venues

  1. The Journal of Chemical Physics

    18 publications · 1.5K citations

    16

    h-index

  2. Fluid Phase Equilibria

    5 publications · 150 citations

    5

    h-index

  3. The Journal of Physical Chemistry A

    4 publications · 107 citations

    4

    h-index

  4. Physical Review Letters

    PRL · 4 publications · 405 citations

    4

    h-index

  5. Molecular Physics

    4 publications · 117 citations

    4

    h-index

1–5