A Vision for the Future of Multiscale Modeling

M Capone, M Romanelli, D Castaldo… - ACS Physical …, 2024 - ACS Publications
The rise of modern computer science enabled physical chemistry to make enormous
progresses in understanding and harnessing natural and artificial phenomena …

Real-Time Formulation of Atomistic Electromagnetic Models for Plasmonics

P Lafiosca, L Nicoli, S Pipolo, S Corni… - arXiv preprint arXiv …, 2024 - arxiv.org
Investigating nanoplasmonics using time-dependent approaches permits shedding light on
the dynamic optical properties of plasmonic structures, which are intrinsically connected with …

Controlling Plasmonic Catalysis via Strong Coupling with Electromagnetic Resonators

J Fojt, P Erhart, C Schäfer - arXiv preprint arXiv:2407.03191, 2024 - arxiv.org
Plasmonic excitations decay within femtoseconds, leaving non-thermal (often referred to as"
hot") charge carriers behind that can be injected into molecular structures to trigger chemical …