1st TIMES Workshop joint with ETSF

Session

Session 4

9 Apr 2025, 09:00

Bell Lecture Theatre (Main Physics Building)

Conveners

Session 4: Ab initio methods for non-equilibrium phenomena

• Davide Sangalli (Istituto di Struttura della Materia (ISM) - CNR)

44. Ultrafast optical processes in 2D semiconductors

Stefano Dal Conte (Politecnico di Milano)

09/04/2025, 09:00

Talk

Monolayers of Transition Metal Dichalcogenides (TMDs) have become a central focus in condensed matter physics research due to their exceptional optoelectronic properties, which arise from strong light-matter interactions. Quantum confinement and reduced Coulomb screening make TMDs an ideal system for studying excitons (i.e. ground state and excited state excitons) and their many-body complexes...

50. Exciton-phonon coupling

Claudio Attaccalite (CNRS/Aix-Marseille Université CINaM)

09/04/2025, 09:40

Talk

In this lecture I will present a general introduction to the exciton-phonon coupling problem with some application to phonon-assisted absorption/emission.

42. Exciton-phonon dynamics from first principles

Enrico Perfetto (University of Rome Tor Vergata)

09/04/2025, 10:50

Talk

Exciton dynamics, encompassing ultrafast photogeneration, diffusion, and thermalization, plays a crucial role in optoelectronic, photovoltaic, and photocatalytic processes.
In this talk we discuss a novel many-body approach to describe exciton dynamics from first-principles. We show that the introduction of an auxiliary exciton species, termed “irreducible exciton”, is crucial to formulate a...

55. Modeling exciton interactions near defects in 2D materials within an ab initio excitonic tight-binding framework

Steven Bos (Utrecht University)

09/04/2025, 11:30

Talk

Two-dimensional (2D) materials have the potential to revolutionize the quantum technology industry by enabling the development of quantum information devices [1]. Defect centers in wide-bandgap semiconductors, such as transition metal dichalcogenides (TMDs), have been proposed as quantum bits (qubits) [2] and have been shown to behave as single photon emitters (SPE) [3]. Advances in this field...

57. Time-Resolved ARPES with TDDFT: Capturing Ultrafast Electron Dynamics in Real Materials

Umberto De Giovannini (University of Palermo)

09/04/2025, 12:10

Talk

Time-resolved angle-resolved photoemission spectroscopy (tr-ARPES) provides direct access to the non-equilibrium electronic structure of solids, combining sub-femtosecond temporal resolution with momentum-resolved spectral information. On the theoretical side, time-dependent density functional theory (TDDFT) has become a key ab-initio approach for modeling ultrafast processes in real...