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Hybrid modeling for excited states in novel molecular materials:
from optical properties to exciton dynamics
Modeling excited states and optical properties in molecular materials through hybrid methodological approaches
Modeling excited states and optical properties in molecular materials through hybrid methodological approaches
from aggregate and crystal structure to optical spectra and exciton dynamics
25th January 2021 - 24th January 2025
Phase 1
Phase 1
Screening molecular structures, optical properties and other experimental quantities
Phase 2
Phase 2
Modeling excitons in molecular aggregates and crystals
Phase 3
Phase 3
ML-based interface for model hamiltonian
Phase 4
Phase 4
Performances and comparison with other techniques
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