ESR4 Marco Bardini


Theoretical Evaluation of Charge Carrier Transport in Molecular Crystals

Supervisor: Prof. D. Beljonne (UMons)

Secondment 1: Max Planck Institute for Polymer Research

Secondment 2: University of Kyoto

My Resume



My work in UHMob

I am responsible for developing optimized Hamiltonians which will be used in computational evaluations of charge carrier transport.


DFT, ab-initio, computational chemistry, organic semiconductors, electron-phonon coupling, transient localization, quantum mechanics, hamiltonian

After UHMob

I am not yet sure of my future after this project, but I would not rule out pursuing an academic career or working in sectors related to energetic sustainability.


Chemical Modifications Suppress Anharmonic Effects in the Lattice Dynamics of Organic Semiconductors

Authors: Maor Asher, Rémy Jouclas, Marco Bardini (ESR4), Yael Diskin-Posner, Nitzan Kahn, Roman Korobko, Alan R. Kennedy, Lygia Silva de Moraes, Guillaume Schweicher, Jie Liu, David Beljonne, Yves Geerts, and Omer Yaffe

Link to the publication:

Date of the publication: July 5, 2022

Charge transfer complexes of a benzothienobenzothiophene derivative and their implementation as active layer in solution-processed thin film organic field-effect transistors

Authors: Lamiaa Fijahi (ESR12), Tommaso Salzillo, Adrián Tamayo, Marco Bardini (ESR4), Christian Ruzié, Claudio Quarti, David Beljonne, Simone D’Agostino, Yves Geerts and Marta Mas-Torrent

Link to the publication:

Date of the publication: April 13, 2022

Dinaphthotetrathienoacenes: Synthesis, Characterization, and Applications in Organic Field-Effect Transistors

Authors: Rémy Jouclas, Jie Liu, Martina Volpi (ESR1), Lygia Silva de Moraes, Guillaume Garbay, Nemo McIntosh (ESR3), Marco Bardini (ESR4), Vincent Lemaur, Alexandre Vercouter, Christos Gatsios (ESR9), Federico Modesti (ESR15), Nicholas Turetta (ESR7) ,David Beljonne, Jérôme Cornil, Alan R. Kennedy, Norbert Koch, Peter Erk, Paolo Samorì, Guillaume Schweicher and Yves H. Geerts

Link to the publication:

Date of the publication: March 16, 2022

About Me

I earned both my BSc and MSc at the University of Parma, but I have always been interested in expanding my scientific horizons, so I won a scholarship to spend a semester of my BSc at Boston College and earned a dual MSc between Parma and the University of Cape Town. This helped me immensely in exploring different facets of chemistry and getting to know people from incredibly diverse backgrounds. The ability to keep collaborating with many interesting people is largely the reason why I wanted to work in an ITN program.

In my free time I enjoy learning languages – in addition to English and my native Italian I speak Spanish and French – playing basketball or football, hiking, cooking and reading literary fiction.