Edoardo Fabbrini, a third-year PhD student in applied mathematics at Kyushu University, presented an automated framework for designing novel Diarylethene derivatives with targeted HOMO-LUMO bandgaps. The platform combines Density Functional Theory (DFT) calculations with evolutionary optimization algorithms, and explores continuum models for thin membranes containing dislocations in crystalline lattices.
Edoardo Fabbrini a présenté un cadre automatisé pour la conception de nouveaux dérivés de diaryléthène avec des bandes interdites HOMO-LUMO ciblées.