Concepedia

Potential Energy Surface Optimization

Potential Energy Surface Optimization is a computational methodology in theoretical and physical chemistry that involves the systematic refinement of stationary points and reaction pathways on a potential energy surface to identify energetically favorable configurations and transition states.

469

Publications

30.4K

Citations

1.2K

Authors

529

Institutions

Publications per year

2017–2026

102

Parents

Publications

469

Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

The Journal of Physical Chemistry A · 1997 · 3K citations · Full text

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Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms

Oxford University Research Archive (ORA) (University of Oxford) · 1997 · 2.2K citations

, , +16

Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems

Stefan Goedecker · The Journal of Chemical Physics · 2004 · 861 citations · Full text

, , +14

On finding transition states

C. Cerjan, William H. Miller · The Journal of Chemical Physics · 1981 · 734 citations · Full text

, , +16

A quadratically convergent MCSCF method for the simultaneous optimization of several states

Hans‐Joachim Werner, Wilfried Meyer · The Journal of Chemical Physics · 1981 · 544 citations

, , +16

1–5 of 469

Authors

1.2K

  1. ZL
    Zhi‐Pan Liu

    Fudan University, China

    9 publications · 998 citations

    9

    h-index

  2. HF
    Henry F. Schaefer

    University of Georgia, United States

    9 publications · 393 citations

    9

    h-index

  3. SM
    Satoshi Maeda

    Hokkaido University, Japan

    9 publications · 1.1K citations

    9

    h-index

  4. CS
    Cheng Shang

    Fudan University, China

    8 publications · 926 citations

    8

    h-index

  5. KO
    Koichi Ohno

    Tohoku University, Japan

    8 publications · 1K citations

    8

    h-index

1–5 of 1.2K

Institutions

529

  1. Centre National de la Recherche Scientifique

    Paris, France

    12 h-index

    38 publications

    838 citations

  2. Jilin University

    Changchun, China

    10 h-index

    38 publications

    1.1K citations

  3. Fudan University

    Shanghai, China

    9 h-index

    29 publications

    3.2K citations

  4. Tohoku University

    Sendai, Japan

    8 h-index

    21 publications

    3.1K citations

  5. Emory University

    Atlanta, United States

    8 h-index

    17 publications

    769 citations

  6. University of Georgia

    Athens, United States

    8 h-index

    33 publications

    1.7K citations

  7. Collaborative Innovation Center of Chemistry for Energy Materials

    Shanghai, China

    7 h-index

    24 publications

    2.4K citations

  8. KU Leuven

    Leuven, Belgium

    7 h-index

    17 publications

    800 citations

1–8 of 529

Venues

  1. The Journal of Chemical Physics

    108 publications · 8.3K citations

    48

    h-index

  2. The Journal of Physical Chemistry A

    64 publications · 5.8K citations

    30

    h-index

  3. Journal of Chemical Theory and Computation

    JCTC · 32 publications · 2K citations

    22

    h-index

  4. Journal of Computational Chemistry

    21 publications · 1.1K citations

    16

    h-index

  5. Physical Chemistry Chemical Physics

    PCCP · 18 publications · 606 citations

    15

    h-index

1–5