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@NQCD

NQCD - Nonadiabatic Quantum Classical Dynamics

Julia packages for performing semi-classical and mixed quantum-classical molecular dynamics simulations.

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  1. NQCDynamics.jl NQCDynamics.jl Public

    Fast and flexible nonadiabatic molecular dynamics in Julia!

    Julia 71 9

  2. NQCModels.jl NQCModels.jl Public

    Interface for defining model systems for nonadiabatic dynamics

    Julia 6 2

  3. NQCRecipes NQCRecipes Public

    Advanced tutorials for NQCDynamics.jl and related packages in the NQCD Github org

    HTML 1 1

Repositories

Showing 10 of 26 repositories
  • NQCDynamics.jl Public

    Fast and flexible nonadiabatic molecular dynamics in Julia!

    NQCD/NQCDynamics.jl's past year of commit activity
    Julia 71 MIT 9 27 22 Updated Sep 14, 2026
  • SurfaceScatteringMQC Public

    Scripts and data supporting the research presented in "Assessing mixed quantum-classical molecular dynamics methods for nonadiabatic scattering of molecules on metal surfaces".

    NQCD/SurfaceScatteringMQC's past year of commit activity
    Julia 2 1 0 0 Updated Sep 9, 2026
  • NQCModels.jl Public

    Interface for defining model systems for nonadiabatic dynamics

    NQCD/NQCModels.jl's past year of commit activity
    Julia 6 MIT 2 5 5 Updated Sep 9, 2026
  • NQCDistributions.jl Public
    NQCD/NQCDistributions.jl's past year of commit activity
    Julia 0 MIT 0 4 4 Updated Sep 7, 2026
  • MACEModels.jl Public
    NQCD/MACEModels.jl's past year of commit activity
    Julia 2 MIT 0 2 11 Updated Sep 1, 2026
  • NQCCalculators.jl Public

    functions and data structures to extract physical observables from NQCModels and cache system variables for NQCDynamics

    NQCD/NQCCalculators.jl's past year of commit activity
    Julia 0 MIT 0 2 2 Updated Aug 14, 2026
  • NQCBase.jl Public

    Base definitions of atoms, cell and unit conversions used in NQCModels.jl and NQCDynamics.jl.

    NQCD/NQCBase.jl's past year of commit activity
    Julia 0 MIT 2 2 2 Updated Aug 12, 2026
  • NQCRecipes Public

    Advanced tutorials for NQCDynamics.jl and related packages in the NQCD Github org

    NQCD/NQCRecipes's past year of commit activity
    HTML 1 1 1 0 Updated Aug 3, 2026
  • RingPolymerArrays.jl Public
    NQCD/RingPolymerArrays.jl's past year of commit activity
    Julia 0 MIT 0 0 0 Updated Jul 21, 2026
  • NQCPlots.jl Public
    NQCD/NQCPlots.jl's past year of commit activity
    Julia 0 MIT 0 0 5 Updated Jun 25, 2026
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