HYMO4EXNOMOMA

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

from aggregate and crystal structure to optical spectra and exciton dynamics

 25th January 2021 - 24th January 2025

Phase 1

Screening molecular structures, optical properties and other experimental quantities

Phase 2

Modeling excitons in molecular aggregates and crystals 


Phase 3

ML-based interface for model hamiltonian

Phase 4

Performances and comparison with other techniques