roehr-lab
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SFast-Singlet-Fission-adiabatic-basis-screening
SFast-Singlet-Fission-adiabatic-basis-screening PublicSemiempirical models for estimating singlet fission rates in cofacially stacked homodimers
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Functionality_Optimization_for_Effective_SF_Coupling_Screening
Functionality_Optimization_for_Effective_SF_Coupling_Screening PublicCode for our Paper: "Functionality Optimization for Effective Singlet Fission Coupling Screening in the Full-Dimensional Molecular and Intermolecular Coordinate Space"
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SFLinker
SFLinker PublicOfficial repository for our paper "Diffusion Generative Models for Designing Efficient Singlet Fission Dimers"
Repositories
- BN_Dewar Public
# BN_Dewar Official repository for our paper "Asymmetric Planar-to-Dewar Isomerisation in BN-Doped Naphthalene: Mechanistic Implications for Molecular Solar Thermal Storage".
- Fragment-Based-CI_data Public
Data for the Paper: Fragment-Based Configuration Interaction: Towards a Unifying Description of Biexcitonic Processes in Molecular Aggregates
- TubeStructure Public
- roehr-lab.github.io Public
- SFLinker Public
Official repository for our paper "Diffusion Generative Models for Designing Efficient Singlet Fission Dimers"
- 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"
- .github Public
- SFast-Singlet-Fission-adiabatic-basis-screening Public
Semiempirical models for estimating singlet fission rates in cofacially stacked homodimers
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