Concepedia

Reaction Path Sampling

Reaction Path Sampling is a computational method in chemical kinetics that belongs to the class of rare event simulation techniques, specifically designed to generate an ensemble of reactive trajectories for characterizing transition mechanisms and calculating rate constants in complex molecular systems.

93

Publications

8K

Citations

246

Authors

130

Institutions

Publications per year

2017–2026

23

Parents

Publications

93

Transition path sampling and the calculation of rate constants

Christoph Dellago, Peter G. Bolhuis, Félix S. Csajka et al. · The Journal of Chemical Physics · 1998 · 1.1K citations

, , +16

A temperature accelerated method for sampling free energy and determining reaction pathways in rare events simulations

Luca Maragliano, Eric Vanden‐Eijnden · Chemical Physics Letters · 2006 · 512 citations

, , +16

A method for determining reaction paths in large molecules: Application to myoglobin

Ron Elber, Martin Karplus · Chemical Physics Letters · 1987 · 421 citations

, , +10

Discrete path sampling

David J. Wales · Molecular Physics · 2002 · 399 citations

, , +16

Interplay between Structure and Size in a Critical Crystal Nucleus

Daniele Moroni, Pieter Rein ten Wolde, Peter G. Bolhuis · Physical Review Letters · 2005 · 343 citations

, , +16

1–5 of 93

Authors

246

  1. PG
    Peter G. Bolhuis

    University of Amsterdam, Netherlands

    6 publications · 2K citations

    6

    h-index

  2. TS
    Titus S. van Erp

    Norwegian University of Science and Technology, Norway

    5 publications · 265 citations

    5

    h-index

  3. CD
    Christoph Dellago

    University of Vienna, Austria

    4 publications · 1.5K citations

    4

    h-index

  4. DC
    David Chandler

    University of California, Berkeley, United States

    3 publications · 1.5K citations

    3

    h-index

  5. PC
    Pinaki Chaudhury

    University of Calcutta, India

    3 publications · 47 citations

    3

    h-index

1–5 of 246

Institutions

130

  1. University of Amsterdam

    Amsterdam, The Netherlands

    5 h-index

    12 publications

    1.1K citations

  2. Hokkaido University

    Sapporo, Japan

    4 h-index

    17 publications

    2.6K citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    3 h-index

    11 publications

    323 citations

  4. ETH Zurich

    Zurich, Switzerland

    3 h-index

    8 publications

    170 citations

  5. Sorbonne Université

    Paris, France

    3 h-index

    11 publications

    323 citations

  6. New York University

    New York, United States

    3 h-index

    5 publications

    1.5K citations

  7. KU Leuven

    Leuven, Belgium

    3 h-index

    3 publications

    200 citations

  8. Norwegian University of Science and Technology

    Trondheim, Norway

    3 h-index

    10 publications

    303 citations

1–8 of 130

Venues

  1. The Journal of Chemical Physics

    22 publications · 3.1K citations

    19

    h-index

  2. Journal of Chemical Theory and Computation

    JCTC · 10 publications · 391 citations

    9

    h-index

  3. Journal of Computational Chemistry

    4 publications · 345 citations

    4

    h-index

  4. Physical Review Letters

    PRL · 3 publications · 518 citations

    3

    h-index

  5. The Journal of Physical Chemistry Letters

    3 publications · 96 citations

    3

    h-index

1–5