Concepedia

Free Energy

Free Energy is a thermodynamic potential that combines a system’s energetic and entropic contributions into a single state function—typically as Helmholtz free energy (F = U − TS) at constant temperature and volume or Gibbs free energy (G = H − TS) at constant temperature and pressure—such that its decrease quantifies the maximum useful non-expansion work obtainable and determines the direction of spontaneous processes and equilibrium in biomolecular, chemical, and materials systems.

7.3K

Publications

542.7K

Citations

12.6K

Authors

2.6K

Institutions

Publications per year

2017–2026

903

Variants

Free Energy Calculation

Parents

Children

Publications

7.3K

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar · The Journal of Physical Chemistry B · 2009 · 17.4K citations · Full text

, , +17

Free Energy of a Nonuniform System. I. Interfacial Free Energy

John W. Cahn, J. E. Hilliard · The Journal of Chemical Physics · 1958 · 10.3K citations

, , +17

THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method

John M. Rosenberg, Djamal Bouzida, Robert H. Swendsen et al. · Journal of Computational Chemistry · 1992 · 6.9K citations

, , +17

Escaping free-energy minima

Alessandro Laio, Michele Parrinello · Proceedings of the National Academy of Sciences · 2002 · 5.7K citations · Full text

, , +17

Nonequilibrium Equality for Free Energy Differences

Christopher Jarzynski · Physical Review Letters · 1997 · 5.4K citations · Full text

, , +15

1–5 of 7.3K

Authors

12.6K

  1. MK
    Martin Karplus

    Harvard University, United States

    37 publications · 7K citations

    35

    h-index

  2. PA
    Peter A. Kollman

    University of California, San Francisco, United States

    46 publications · 10.8K citations

    33

    h-index

  3. DG
    Donald G. Truhlar

    University of Minnesota, United States

    39 publications · 24.2K citations

    32

    h-index

  4. AW
    Arieh Warshel

    University of Southern California, United States

    34 publications · 3.8K citations

    31

    h-index

  5. CJ
    Christopher J. Cramer

    University of Minnesota, United States

    28 publications · 23.6K citations

    27

    h-index

1–5 of 12.6K

Institutions

2.6K

  1. Centre National de la Recherche Scientifique

    Paris, France

    54 h-index

    422 publications

    24.3K citations

  2. University of Minnesota

    Minneapolis, United States

    48 h-index

    195 publications

    76.1K citations

  3. Kyoto University

    Kyoto, Japan

    45 h-index

    253 publications

    14.8K citations

  4. ETH Zurich

    Zurich, Switzerland

    42 h-index

    177 publications

    41.4K citations

  5. National Institutes of Health

    Bethesda, United States

    38 h-index

    131 publications

    13.5K citations

  6. University of Cambridge

    Cambridge, United Kingdom

    37 h-index

    101 publications

    6.7K citations

  7. University of California, Berkeley

    Berkeley, United States

    37 h-index

    100 publications

    18.2K citations

  8. Harvard University

    Cambridge, United States

    37 h-index

    85 publications

    17K citations

1–8 of 2.6K

Venues

  1. The Journal of Chemical Physics

    919 publications · 87.8K citations

    123

    h-index

  2. Journal of the American Chemical Society

    JACS · 229 publications · 24.6K citations

    76

    h-index

  3. Physical Review Letters

    PRL · 156 publications · 26.9K citations

    72

    h-index

  4. The Journal of Physical Chemistry B

    323 publications · 40.1K citations

    69

    h-index

  5. Journal of Chemical Theory and Computation

    JCTC · 210 publications · 22.2K citations

    60

    h-index

1–5