Concepedia

Potential Energy Functions

Potential Energy Functions is a mathematical formalism within the framework of force fields that quantifies the energy of a physical system as a function of atomic positions, distinguishing itself by encoding intramolecular and intermolecular interactions such as bond stretching, angle bending, torsional rotations, and nonbonded forces in terms of analytical expressions.

4.9K

Publications

362K

Citations

9.6K

Authors

2.1K

Institutions

Publications per year

2017–2026

477

Parents

Publications

4.9K

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

, , +17

On the Quantum Correction For Thermodynamic Equilibrium

E. P. Wigner · Physical Review · 1932 · 9.2K citations

, , +15

Computer simulation of local order in condensed phases of silicon

Frank H. Stillinger, Thomas A. Weber · Physical review. B, Condensed matter · 1985 · 5.3K citations

, , +16

The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin

William L. Jorgensen, Julian Tirado‐Rives · Journal of the American Chemical Society · 1988 · 5K citations

, , +16

Diatomic Molecules According to the Wave Mechanics. II. Vibrational Levels

Philip Μ. Morse · Physical Review · 1929 · 4.1K citations

, , +15

1–5 of 4.9K

Authors

9.6K

  1. HA
    Harold A. Scheraga

    Cornell University, United States

    38 publications · 3.1K citations

    28

    h-index

  2. FP
    Francesco Paesani

    University of California San Diego, United States

    33 publications · 2K citations

    24

    h-index

  3. KB
    K. Balasubramanian

    Arizona State University, United States

    46 publications · 1.1K citations

    23

    h-index

  4. KA
    Kirk A. Peterson

    Washington State University, United States

    30 publications · 1.9K citations

    23

    h-index

  5. DG
    Donald G. Truhlar

    University of Minnesota, United States

    27 publications · 2.6K citations

    22

    h-index

1–5 of 9.6K

Institutions

2.1K

  1. Centre National de la Recherche Scientifique

    Paris, France

    45 h-index

    337 publications

    18.7K citations

  2. University of California, Berkeley

    Berkeley, United States

    39 h-index

    160 publications

    15.3K citations

  3. Cornell University

    Ithaca, United States

    39 h-index

    187 publications

    15.9K citations

  4. University of California San Diego

    San Diego, United States

    37 h-index

    169 publications

    15.3K citations

  5. University of Minnesota

    Minneapolis, United States

    34 h-index

    130 publications

    8.9K citations

  6. Stanford University

    Stanford, United States

    32 h-index

    110 publications

    14.3K citations

  7. Pennsylvania State University

    State College, United States

    31 h-index

    119 publications

    6.6K citations

  8. University of Chicago

    Chicago, United States

    31 h-index

    86 publications

    8.2K citations

1–8 of 2.1K

Venues

  1. The Journal of Chemical Physics

    1.3K publications · 129.7K citations

    127

    h-index

  2. Molecular Physics

    170 publications · 8.6K citations

    48

    h-index

  3. The Journal of Physical Chemistry A

    183 publications · 7.9K citations

    48

    h-index

  4. Physical Review

    74 publications · 25.7K citations

    42

    h-index

  5. Journal of Chemical Theory and Computation

    JCTC · 101 publications · 6K citations

    42

    h-index

1–5