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@Frost-group

Frost research group

Repository for open source codes and input files for the Jarvist Moore Frost research group at Imperial College London.

Popular repositories Loading

  1. The-Oracle-of-Zotero The-Oracle-of-Zotero Public

    Forked from Future-House/paper-qa

    LLM Chain querying a scientific Zotero library, with citations

    Python 414 6

  2. LeadCopperApatite LeadCopperApatite Public

    Modelling the new Lead-Copper apatite proposed room temperature supeconductor

    Python 31

  3. PolaronMobility.jl PolaronMobility.jl Public

    Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaron observables.

    Jupyter Notebook 26 8

  4. 2021-SEM-MRes-MaterialStructureAndDynamics-ComputationalWorkshop 2021-SEM-MRes-MaterialStructureAndDynamics-ComputationalWorkshop Public

    Files from the 2021 Soft Electronic Materials MRes Computational Workshop on Material Structure and Dynamics

    Jupyter Notebook 15 3

  5. Tethys.jl Tethys.jl Public

    Diagrammatic Monte-Carlo (DiagMC) calculation of Frohlich polarons. A WIP.

    Julia 8

  6. PolaronQMC.jl PolaronQMC.jl Public

    Pigs might just fly.

    Julia 6

Repositories

Showing 10 of 39 repositories
  • PPP.jl Public

    Pariser–Parr–Pople Method, currently Hartree-Fock SCF, and hopefully CIS(D) and beyond!

    Frost-group/PPP.jl’s past year of commit activity
    Julia 0 MIT 0 0 2 Updated Nov 25, 2024
  • MembraneElectrostatics.jl Public

    Coarse-grain MD not fast enough? Try some Cahill inspired MembraneElectrostatics!

    Frost-group/MembraneElectrostatics.jl’s past year of commit activity
    Julia 0 MIT 0 0 0 Updated Nov 24, 2024
  • RadicalMobility Public
    Frost-group/RadicalMobility’s past year of commit activity
    Python 0 0 0 0 Updated Nov 21, 2024
  • Nornour Public

    An open-source project in computational modelling and design of antimicrobrial and anticancer peptides.

    Frost-group/Nornour’s past year of commit activity
    Shell 0 0 3 0 Updated Nov 21, 2024
  • Astowell.jl Public

    Fractal fermion nodes

    Frost-group/Astowell.jl’s past year of commit activity
    Julia 2 MIT 0 0 0 Updated Nov 19, 2024
  • Frost-group.github.io Public Forked from alshedivat/al-folio

    Frost-group website; based on alshedivat / al-folio Jekyll theme

    Frost-group/Frost-group.github.io’s past year of commit activity
    HTML 0 MIT 11,330 0 0 Updated Nov 17, 2024
  • xtb Public Forked from grimme-lab/xtb

    Semiempirical Extended Tight-Binding Program Package

    Frost-group/xtb’s past year of commit activity
    Fortran 0 LGPL-3.0 149 0 0 Updated Nov 15, 2024
  • ComputationalSolidStatePhysics Public

    Lecture notes & interactive notebooks for computational solid state physics MRes lectures

    Frost-group/ComputationalSolidStatePhysics’s past year of commit activity
    TeX 0 0 0 0 Updated Nov 13, 2024
  • PolaronMobility.jl Public

    Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaron observables.

    Frost-group/PolaronMobility.jl’s past year of commit activity
    Jupyter Notebook 26 MIT 8 4 0 Updated Nov 13, 2024
  • GPFC.jl Public
    Frost-group/GPFC.jl’s past year of commit activity
    Julia 3 MIT 0 2 10 Updated Sep 25, 2024
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