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Quantitatively connecting experiments and simulations on biomolecules with a hybrid quantum-classical approach

The applications of multiscale quantum-classical approaches have recently shown an extraordinary expansion and diversification. To directly compare exactly the same computed and measured observables, taking into account the interplay between a species and its environment, is one of the key goals of such theoretical modeling approaches. Addressing this challenge, we developed a theoretical-computational hybrid quantum/classical methodology, the Perturbed Matrix Method (PMM), to be used in conjunction with molecular dynamics (MD) simulations, for the investigation of a variety of processes in complex systems. Speaker: Laura Zanetti Polzi, Dipartimento di Scienze Fisiche e Chimiche Universitą degli Studi dell'Aquila e CNR-NANO Modena Host: Stefano Corni stefano.corni@unipd.it

Data inizio evento: 18/06/2019 11:30

Luogo: S3 Seminar Room, Third Floor, Physics Building, FIM Department -via Giuseppe Campi, 213/a - Modena

Categorie: eventi, Seminario

Pubblicato da: comunicazione@unimore.it