Mutual information, vibrational scaling, short-time dynamical heterogeneity and secondary relaxation in coarse-grained polymer systems

Report on the activities carried out during the Ph.D. period

Date of Birth: 02/11/1990

Place of Birth: Messina (Me), Italy PhD course: Physics

PhD academic years: 2017-2020 (XXXIII ciclo) Supervisor: Dino Leporini

Educational activities

• Course “Metodi numerici della Fisica teorica”, held by Massimo D’Elia at Dipartimento di Fisica, Università di Pisa (54 hours);

• Course “Sistemi disordinati fuori equilibrio”, held by Dino Leporini and Simone Capaccioli at Dipartimento di Fisica, Università di Pisa (54 hours);

• Course “Scientific Writing for Physicist” held by Steven Shore at Dipartimento di Fisica, Università di Pisa (24 hours).

• Seminar “The quantum nature of light Photon statistics and photon anti-bunching”, Dipartimento di Fisica, Università di Pisa and INFN 22/10/2018

Second year:

• Pre-Thesis seminar: “Mutual information in molecular liquids”, Dipartimento di Fisica, Università di Pisa and INFN 16/09/2019 .

Research activities

• 21-23/02/2018, Cineca, Bologna (Italy): School “Introduction to Parallel Computing with MPI and OpenMP”;

• 14-16/05/2018, Barcellona (Spain): Poster presentation “Mutual Information sheds light on the Glass Transition” at the conference “Entropy 2018: From Physics to Information Sciences and Geometry” • 28-29/04/2018, Cineca, Bologna (Italy): Online School “High Performance Molecular Dynamics”;

1 Research papers:

• Article: “Criticality of O(N) symmetric models in the presence of discrete gauge symmetries”, Phys. Rev. E 97, 012123, 2018 [ doi.org/10.1103/PhysRevE.97.012123]; coauthors: A. Pelissetto and E. Vicari

• Article: “Mutual information does not detect growing correlations in the propensity of a model molecular liquid”, Soft Matter, 2019 [doi.org/10.1039/c9sm01143a] coauthors: A. Giuntoli, M. Malvaldi, and D. Leporini;

• Article: “Vibrational scaling of the heterogeneous dynamics detected by mutual information”, Eur. Phys. J. E 42, 146, 2019 [doi.org/10.1140/epje/i2019-11916-6] coauthors: F. Puosi, M. Malvaldi, and D. Leporini;

• Article: “Fast vibrational modes and slow heterogeneous dynamics in polymers and viscous liquids”, Int. J. Mol. Sci. 2019, 20, 5708. [doi.org/10.3390/ijms20225708] coauthors: F. Puosi, and D. Leporini;

• Article: “Coincident correlation between vibrational dynamics and primary relaxation of polymers with strong or weak Johari-Goldstein relaxation”, Polymers, 12, 761, 2020 [doi.org/10.3390/polym12040761] coauthors: F. Puosi, M. Malvaldi, S. Capaccioli, and D. Leporini; • Article: “Johari-Goldstein heterogeneous dynamics in a model polymer”, Macromolecules 54, 5, 2021

[doi.org/10.1021/acs.macromol.1c00066] coauthors: F. Puosi. M. Malvaldi, and D. Leporini;

Signature: