Concepedia

Atomistic Kinetic Modeling

Atomistic Kinetic Modeling is a computational framework within atomistic modeling that specifically describes the time evolution of atomic-scale processes by incorporating stochastic transition rates between discrete states, distinguished from other atomistic models by its focus on non-equilibrium dynamics and kinetic pathways rather than static or thermodynamic properties.

525

Publications

29.1K

Citations

1.8K

Authors

618

Institutions

Publications per year

2017–2026

170

Parents

Publications

525

Kinetic modeling of soot formation with detailed chemistry and physics: laminar premixed flames of C2 hydrocarbons

Jörg Appel, H. Bockhorn, Michael Frenklach · Combustion and Flame · 2000 · 1.3K citations

, , +17

Kinetic modeling of gasoline surrogate components and mixtures under engine conditions

Marco Mehl, William J. Pitz, Charles K. Westbrook et al. · Proceedings of the Combustion Institute · 2010 · 1.1K citations · Full text

, , +16

Hierarchical and comparative kinetic modeling of laminar flame speeds of hydrocarbon and oxygenated fuels

E. Ranzi, Alessio Frassoldati, Roberto Barberena Graña et al. · Progress in Energy and Combustion Science · 2012 · 977 citations

, , +14

Detailed kinetic modeling of soot formation in shock-tube pyrolysis of acetylene

Michael Frenklach, David W. Clary, W. C. Gardiner et al. · Symposium (International) on Combustion · 1985 · 656 citations

, , +16

Kinetic growth with surface relaxation: Continuum versus atomistic models

Zaizhi Lai, S. Das Sarma · Physical Review Letters · 1991 · 639 citations

, , +17

1–5 of 525

Authors

1.8K

  1. NC
    N. Castin

    Belgian Nuclear Research Centre, Belgium

    10 publications · 393 citations

    10

    h-index

  2. YL
    Yuyang Li

    University of Science and Technology of China, China

    10 publications · 865 citations

    10

    h-index

  3. LM
    L. Malerba

    Belgian Nuclear Research Centre, Belgium

    10 publications · 374 citations

    10

    h-index

  4. JY
    Jiuzhong Yang

    National Synchrotron Radiation Laboratory, China

    8 publications · 369 citations

    8

    h-index

  5. TF
    Tiziano Faravelli

    Politecnico di Milano, Italy

    7 publications · 1.5K citations

    7

    h-index

1–5 of 1.8K

Institutions

618

  1. Centre National de la Recherche Scientifique

    Paris, France

    24 h-index

    96 publications

    6.9K citations

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

    Paris, France

    14 h-index

    44 publications

    1.6K citations

  3. University of Science and Technology of China

    Hefei, China

    12 h-index

    52 publications

    3.7K citations

  4. Belgian Nuclear Research Centre

    Mol, Belgium

    12 h-index

    28 publications

    1.1K citations

  5. Shanghai Jiao Tong University

    Shanghai, China

    11 h-index

    55 publications

    3.6K citations

  6. National Synchrotron Radiation Laboratory

    Hefei, China

    11 h-index

    49 publications

    3.6K citations

  7. Massachusetts Institute of Technology

    Cambridge, United States

    11 h-index

    26 publications

    1.3K citations

  8. Lawrence Livermore National Laboratory

    Livermore, United States

    10 h-index

    20 publications

    3.9K citations

1–8 of 618

Venues

  1. Combustion and Flame

    48 publications · 5K citations

    34

    h-index

  2. Chemical Engineering Journal

    22 publications · 1.1K citations

    17

    h-index

  3. Fuel

    15 publications · 478 citations

    14

    h-index

  4. Proceedings of the Combustion Institute

    13 publications · 1.9K citations

    12

    h-index

  5. Physical Review B

    PRB · 11 publications · 541 citations

    11

    h-index

1–5