Concepedia

Self-diffusion Simulation

Self-Diffusion Simulation is a computational modeling approach that quantifies the spontaneous movement of particles within a homogeneous system over time by tracking individual trajectories in the absence of concentration gradients, thereby distinguishing it from other transport simulations that rely on external driving forces or inter-diffusion mechanisms.

273

Publications

16.1K

Citations

729

Authors

362

Institutions

Publications per year

2017–2026

33

Parents

Publications

273

Revised central force potentials for water

Frank H. Stillinger, A. Rahman · The Journal of Chemical Physics · 1978 · 522 citations

, , +17

Effects of Temperature Control Algorithms on Transport Properties and Kinetics in Molecular Dynamics Simulations

Joseph E. Basconi, Michael R. Shirts · Journal of Chemical Theory and Computation · 2013 · 464 citations

, , +17

Overcoming free energy barriers using unconstrained molecular dynamics simulations

Jérôme Hénin, Christophe Chipot · The Journal of Chemical Physics · 2004 · 453 citations

, , +17

Computer "Experiments" on Classical Fluids. III. Time-Dependent Self-Correlation Functions

Dominique Lévesque, Loup Verlet · Physical review. A, General physics · 1970 · 453 citations

, , +11

Liquid–vapor oscillations of water in hydrophobic nanopores

Oliver Beckstein, Mark S.P. Sansom · Proceedings of the National Academy of Sciences · 2003 · 443 citations · Full text

, , +17

1–5 of 273

Authors

729

  1. GA
    Gregory A. Voth

    University of Chicago, United States

    6 publications · 882 citations

    6

    h-index

  2. TK
    T. Keyes

    Boston University, United States

    6 publications · 362 citations

    6

    h-index

  3. JR
    James R. Chelikowsky

    University of Minnesota, United States

    3 publications · 83 citations

    3

    h-index

  4. NJ
    Niall J. English

    University College Dublin, Ireland

    3 publications · 181 citations

    3

    h-index

  5. BJ
    B. J. Berne

    Columbia University, United States

    3 publications · 548 citations

    3

    h-index

1–5 of 729

Institutions

362

  1. Centre National de la Recherche Scientifique

    Paris, France

    11 h-index

    29 publications

    2.2K citations

  2. Boston University

    Boston, United States

    7 h-index

    14 publications

    697 citations

  3. Kyoto University

    Kyoto, Japan

    6 h-index

    9 publications

    495 citations

  4. Tohoku University

    Sendai, Japan

    6 h-index

    16 publications

    536 citations

  5. University of Utah

    Salt Lake City, United States

    5 h-index

    11 publications

    1.4K citations

  6. KTH Royal Institute of Technology

    Stockholm, Sweden

    5 h-index

    13 publications

    400 citations

  7. Delft University of Technology

    Delft, The Netherlands

    4 h-index

    7 publications

    186 citations

  8. University of Minnesota

    Minneapolis, United States

    4 h-index

    11 publications

    350 citations

1–8 of 362

Venues

  1. The Journal of Chemical Physics

    54 publications · 4.7K citations

    36

    h-index

  2. The Journal of Physical Chemistry B

    18 publications · 1.2K citations

    17

    h-index

  3. Molecular Physics

    9 publications · 466 citations

    9

    h-index

  4. Physical Review Letters

    PRL · 8 publications · 577 citations

    8

    h-index

  5. Physical Review E

    PRE · 8 publications · 275 citations

    8

    h-index

1–5