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roehr-lab

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  1. SFast-Singlet-Fission-adiabatic-basis-screening SFast-Singlet-Fission-adiabatic-basis-screening Public

    Semiempirical models for estimating singlet fission rates in cofacially stacked homodimers

    Python 1 1

  2. SymbolicCI SymbolicCI Public

    Symbolicaly Generates the hamiltonian

    Python 1 2

  3. roehr-lab.github.io roehr-lab.github.io Public

    HTML

  4. .github .github Public

  5. Functionality_Optimization_for_Effective_SF_Coupling_Screening Functionality_Optimization_for_Effective_SF_Coupling_Screening Public

    Code for our Paper: "Functionality Optimization for Effective Singlet Fission Coupling Screening in the Full-Dimensional Molecular and Intermolecular Coordinate Space"

    Jupyter Notebook

  6. SFLinker SFLinker Public

    Official repository for our paper "Diffusion Generative Models for Designing Efficient Singlet Fission Dimers"

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