About

Luca Grisanti, PhD worked at the intersection of computational materials science, chemical physics, and biophysics. He developed and applied computer-simulation methods to study how the atomic structure and dynamics of molecular and hybrid materials shape their electronic, optical, and energy-transfer properties, including charge and exciton transport, electron–phonon interactions, and theoretical spectroscopy.

From 2021, he led the Croatian Science Foundation project HYMO4EXNOMOMA, combining excited-state calculations, molecular dynamics, model Hamiltonians, and machine learning to predict optical properties and exciton dynamics in organic and biomolecular materials. He also contributed to research on amyloid-protein fluorescence, Förster energy transfer, natural anthocyanin dyes, and light-emitting two-dimensional halide perovskites.

Luca was a research associate in the Condensed Matter and Statistical Physics Group / Modelling and Theory of Materials Group from October 2018 to November 2022. He currently works at CNR-IOM, Italy.

2025

1
(2025). Computational investigation of uracil dimers in water and the role of classical potentials. Physical Chemistry Chemical Physics.

2023

1
(2023). Crystal structure prediction of quasi-two-dimensional lead halide perovskites. Physical Review B.

2022

1
(2022). Mixed halide ordering as a tool for the stabilization of Ruddlesden--Popper Structures. Chemistry of materials.

2021

1
(2021). Enhanced light emission performance of mixed cation perovskite films—The effect of solution stoichiometry on crystallization. Advanced optical materials.

2020

1
(2020). Phase control for quasi-2D blue emitters by spacer cation engineering. Journal of Materials Chemistry C.

2019

1
(2019). Mixed Spacer Cation Stabilization of Blue-Emitting n= 2 Ruddlesden--Popper Organic--Inorganic Halide Perovskite Films. Advanced Optical Materials.