Time-resolved sImulations of ultrafast phenoMena in quantum matErialS

Informazioni relative al progetto

TIMES

ID dell’accordo di sovvenzione: 101118915

DOI

10.3030/101118915

Data della firma CE 11 Luglio 2023

Data di avvio 1 Marzo 2024

Data di completamento 29 Febbraio 2028

Finanziato da

• Marie Skłodowska-Curie Actions (MSCA)

Costo totale

Nessun dato

Contributo UE

€ 2 628 158,40

Coordinato da

UNIVERSITAT DE VALENCIA
Spain

CORDIS fornisce collegamenti ai risultati finali pubblici e alle pubblicazioni dei progetti ORIZZONTE.

I link ai risultati e alle pubblicazioni dei progetti del 7° PQ, così come i link ad alcuni tipi di risultati specifici come dataset e software, sono recuperati dinamicamente da .OpenAIRE .

Risultati finali

Documents, reports (10)

Nonlinear real-time dynamics and dissipative mechanisms

Nonlinear real-time dynamics and dissipative mechanisms. Modelling of nonlinear pump and probe experiments.

Exciton dynamics theory and applications in 2D materials

Implementation of elements of exciton dynamics theory in Yambo and application in 2D materials.

Exciton-phonon and magnon-phonon implementation

Formulation and implementation in open-source software of the exciton-phonon and magnon-phonon physics

Ehrenfest dynamics within TDHSEX scheme

Formulation and implementation of Ehrenfest dynamics within TDHSEX scheme. Python interfaces for non-equilibrium codes.

Recruitment advertising

Advertising of positions of Doctoral Candidates in several platforms as EuroAxess. Documentation of the recruitment procedure such as snapshots of the announcements.

News and Media Releases
STDDFT-MD for molecules in QDD

Implementation of STDDFT-MD for molecules in QDD

Electron and exciton interaction with phonons, magnons and photons

Formulation of the theory of electron-phonon coupling across a phase transition. Modelling inter and intra-excitons transitions. Effects of nuclear displacements on the Born-effective charges

Magnons spectra and magnon dispersion

Implementation of the formulation to calculate magnon dispersion relations (M20). Description of coherent magnon dynamics and spin precession in 2D materials. A new version of the deliverable will be submitted by M30.

Non-Markovian dynamics

Non-Markovian electron-phonon dynamics in tight-binding models for transition metal dichalcogenides. Ab initio non-Markovian dynamics in Yambo. Electron decoherence within TDDFT in Octopus.

Websites, patent fillings, videos etc. (3)

Transferable and soft skills training

Webinars focused on scientific and soft skills and TIMES schools. CV-industry adapted

TIMES website

Launching of the website of the project (M2).

Wiki pages of code tutorials

Pubblicazioni

Other (3)

Exact formula with two dynamically screened electron-phonon couplings for positive phonon-linewidths approximations

Autori: Gianluca Stefanucci; Enrico Perfetto
Pubblicato in: Physical Review B, 2025
DOI: 10.48550/ARXIV.2407.12285

Direct observation of Floquet-Bloch states in monolayer graphene

Autori: Choi, D.; Mogi, M.; de Giovannini, U.; Azoury, D.; Lv, B.; Su, Y.; Hübener, H.; Rubio, A.; Gedik, N.
Pubblicato in: 2024
DOI: 10.48550/ARXIV.2404.14392

Excitonic Bloch equations from first principles

Autori: Gianluca Stefanucci; Enrico Perfetto
Pubblicato in: SciPost Physics, 2025
DOI: 10.48550/ARXIV.2407.17077

Peer reviewed articles (10)

Unveiling the exciton formation in time, energy and momentum domain in layered van der Waals semiconductors

Autori: Valentina Gosetti; Jorge Cervantes-Villanueva; Selene Mor; Davide Sangalli; Alberto García-Cristóbal; Alejandro Molina-Sánchez; Vadim F. Agekyan; Manuel Tuniz; Denny Puntel; Wibke Bronsch; Federico Cilento; Stefania Pagliara
Pubblicato in: Progress in Surface Science, 2025
Editore: ELSEVIER
DOI: 10.1016/J.PROGSURF.2025.100777

Shift current in two-dimensional Janus transition-metal Dichalcogenides: The role of excitons

Autori: Yuncheng Mao; Ju Zhou; Myrta Grüning; Claudio Attaccalite
Pubblicato in: Physical Review Materials, 2025, ISSN 2475-9953
Editore: APS
DOI: 10.1103/QTH8-6SPB

Long-lived coherence between incoherent excitons revealed by time-resolved angle-resolved photoemission spectroscopy: An exact solution

Autori: Zhenlin Zhang; Wei Hu; Enrico Perfetto; Gianluca Stefanucci
Pubblicato in: Physical Review B, Numero 111, 2025, ISSN 2469-9969
Editore: APS
DOI: 10.48550/ARXIV.2502.08162

Solvers for the Hermitian and the pseudo-Hermitian Bethe–Salpeter equation in the Yambo code: Implementation and performance

Autori: Petru Milev, Blanca Mellado-Pinto, Muralidhar Nalabothula, Ali Esquembre-Kučukalić, Fernando Alvarruiz, Enrique Ramos, Francesco Filippone, Alejandro Molina-Sanchez, Ludger Wirtz, Jose E. Roman, Davide Sangalli
Pubblicato in: Computational Condensed Matter, Numero 47, 2026, ISSN 2352-2143
Editore: Elsevier BV
DOI: 10.48550/ARXIV.2504.10096

Magnons in chromium trihalides from ab initio Bethe-Salpeter equation

Autori: Ali Esquembre-Kučukalić, Khoa B Le, Alberto García-Cristóbal, Marco Bernardi, Davide Sangalli, Alejandro Molina-Sánchez
Pubblicato in: Physical Review B, Numero 112, 2025, ISSN 2469-9969
Editore: APS
DOI: 10.1103/GBPW-ZH1V

Nature Physics

Autori: Dongsung Choi; Masataka Mogi; Umberto De Giovannini; Doron Azoury; Baiqing Lv; Yifan Su; Hannes Hübener; Angel Rubio; Nuh Gedik
Pubblicato in: Nature Physics, 2025, ISSN 1745-2473
Editore: Nature Publishing Group
DOI: 10.48550/ARXIV.2404.14392

Magnon-phonon interactions from first principles

Autori: Le, Khoa B. Esquembre Kucukalic, Ali Chen, Hsiao-Yi Maliyov, Ivan Luo, Yao Zhou, Jin-Jian Sangalli, Davide Molina Sánchez, Alejandro Bernardi, Marco
Pubblicato in: Physical Review B, Numero 112, 2025, ISSN 2469-9950
Editore: APS
DOI: 10.1103/489B-N5PD

Physical Review B - Condensed Matter and Materials Physics

Autori: Ali Esquembre-Kučukalić; Khoa B. Le; Alberto García-Cristóbal; Marco Bernardi; Davide Sangalli; and Alejandro Molina-Sánchez
Pubblicato in: Physical Review B, Numero 112, 2025, ISSN 1098-0121
Editore: APS
DOI: 10.1103/GBPW-ZH1V

Light-matter interactions in layered materials and heterostructures: from moiré physics and magneto-optical effects to ultrafast dynamics and hybrid meta-photonics

Autori: Luca Sortino, Marcos H D Guimarães, Alejandro Molina-Sánchez, Jiamin Quan, Denis Garoli and Nicolò Maccaferri
Pubblicato in: 2D Materials, Numero 12, 2025
Editore: IOP
DOI: 10.1088/2053-1583/ADC4F5

Proceedings of the National Academy of Sciences of the United States of America

Autori: I-Te Lu; Dongbin Shin; Mark Kamper Svendsen; Hannes Hübener; Umberto De Giovannini; Simone Latini; Michael Ruggenthaler; Angel Rubio
Pubblicato in: Proceedings of the National Academy of Sciences, 2024, ISSN 0027-8424
Editore: National Academy of Sciences
DOI: 10.48550/ARXIV.2404.08122