Concepedia

Quantum Molecular Dynamics

Quantum Molecular Dynamics is a computational method in molecular simulation that employs quantum mechanical principles to model the time-dependent evolution of atomic and electronic structures, distinguishing it from classical molecular dynamics by incorporating quantum effects such as electron correlation and non-adiabatic processes.

2.4K

Publications

217.3K

Citations

5K

Authors

1.3K

Institutions

Publications per year

2017–2026

535

Parents

Publications

2.4K

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17

Canonical sampling through velocity rescaling

Giovanni Bussi, Davide Donadio, Michele Parrinello · The Journal of Chemical Physics · 2007 · 18.4K citations · Full text

, , +17

Molecular dynamics with electronic transitions

John C. Tully · The Journal of Chemical Physics · 1990 · 4K citations

, , +14

A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

Martin J. Field, Paul A. Bash, Martin Karplus · Journal of Computational Chemistry · 1990 · 2.5K citations

, , +15

Relativistic hadron-hadron collisions in the ultra-relativistic quantum molecular dynamics model

Marcus Bleicher, E. Zabrodin, C. Spieles et al. · Journal of Physics G Nuclear and Particle Physics · 1999 · 1.7K citations · Full text

, , +15

1–5 of 2.4K

Authors

5K

  1. GA
    Gregory A. Voth

    University of Chicago, United States

    29 publications · 3.8K citations

    24

    h-index

  2. HS
    H. Stöcker

    Goethe University Frankfurt, Germany

    30 publications · 4.3K citations

    24

    h-index

  3. PJ
    Peter J. Rossky

    The University of Texas at Austin, United States

    27 publications · 2.5K citations

    24

    h-index

  4. RK
    Rajeev K. Puri

    Panjab University, India

    30 publications · 1.2K citations

    22

    h-index

  5. MB
    Marcus Bleicher

    Goethe University Frankfurt, Germany

    27 publications · 3.2K citations

    20

    h-index

1–5 of 5K

Institutions

1.3K

  1. Centre National de la Recherche Scientifique

    Paris, France

    43 h-index

    315 publications

    15.1K citations

  2. Goethe University Frankfurt

    Frankfurt am Main, Germany

    31 h-index

    209 publications

    31.1K citations

  3. Chinese Academy of Sciences

    Beijing, China

    31 h-index

    327 publications

    10.8K citations

  4. Los Alamos National Laboratory

    Los Alamos, United States

    31 h-index

    240 publications

    9.3K citations

  5. The University of Texas at Austin

    Austin, United States

    28 h-index

    73 publications

    6.7K citations

  6. Commissariat à l'Énergie Atomique et aux Énergies Alternatives

    Paris, France

    27 h-index

    143 publications

    5K citations

  7. École Polytechnique Fédérale de Lausanne

    Lausanne, Switzerland

    25 h-index

    74 publications

    3.8K citations

  8. University of Oxford

    Oxford, United Kingdom

    25 h-index

    63 publications

    10.1K citations

1–8 of 1.3K

Venues

  1. The Journal of Chemical Physics

    513 publications · 57.7K citations

    91

    h-index

  2. Physical Review Letters

    PRL · 83 publications · 8.5K citations

    54

    h-index

  3. Physical Review C

    PRC · 125 publications · 6.1K citations

    47

    h-index

  4. Journal of Chemical Theory and Computation

    JCTC · 107 publications · 5.3K citations

    40

    h-index

  5. The Journal of Physical Chemistry A

    96 publications · 7K citations

    38

    h-index

1–5