Advanced theoretical network for modeling light matter interactIon

Resultado final

Comparison of TD-DFT, DFTB and macroscopic plasmon lifetimes at the surface of solids with damping.
Improved description of collisions in dielectric materials
Parametrization of optical response of at least 1 band gap material introduced into large scale simulations.
Modified Boltzmann kinetic equation approach incorporating first principles scattering rates
Development of ad hoc models for coupling with macroscopic simulations
Applicability map of each model depending on relevant laser conditions
Modified kinetic-equation electron-phonon-photon schemes in UNC and UBA codes

A web portal with links to codes, tutorials and documentation for the simulation packages, public communication in Marie Curie Alumni Association chapters, public communications
Training of S. Starinskyi on plasmonics of slabs. Training of T. Derrien on DFTB and jellium simulations in Cordoba.

Publicaciones

Photoionization-induced reflection for benchmarking of the photoionization models in solid

Autores: Anton Husakou, Zukhriddin Ruziev, Kamoliddin Koraboev, Felipe Morales, Maria Richter, Kazuhiro Yabana
Publicado en: ArXiv, Edición 2404.08742, 2024, Página(s) 2404.08742, ISSN 2331-8422
Editor: Cornell University
DOI: 10.48550/arxiv.2404.08742

Fluorescence in quantum dynamics: accurate spectra require post-mean-field approaches

Autores: Bustamante, Carlos M.; Gadea, Esteban D.; Todorov, Tchavdar N.; Horsfield, Andrew; Stella, Lorenzo; Scherlis, Damian A.
Publicado en: J. Chem. Phys., Edición 158, 2023, Página(s) 144104, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/5.0142094

Femtosecond Field-Driven On-Chip Unidirectional Electronic Currents in Nonadiabatic Tunneling Regime

Autores: Shi, Liping; Babushkin, Ihar; Husakou, Anton; Melchert, Oliver; Frank, Bettina; Yi, Juemin; Wetzel, Gustav; Demircan, Ayhan; Lienau, Christoph; Giessen, Harald; Ivanov, Misha; Morgner, Uwe; Kovacev, Milutin
Publicado en: Laser & Photonics Rev., Edición 15, 2021, Página(s) 2000475, ISSN 1863-8899
Editor: Wiley-VCH GmbH
DOI: 10.1002/lpor.202000475

Photoionization and transient Wannier-Stark ladder in silicon: First principle simulations versus Keldysh theory

Autores: Thibault J.-Y. Derrien; Nicolas Tancogne-Dejean; Vladimir P. Zhukov; Heiko Appel; Angel Rubio; Nadezhda M. Bulgakova
Publicado en: Physical Review B, Edición 104, 2021, Página(s) L241201, ISSN 2469-9969
Editor: American Physical Society
DOI: 10.1103/physrevb.104.l241201

Tailoring Cooperative Emission in Molecules: Superradiance and Subradiance from First-Principles Simulations

Autores: Carlos M. Bustamante; Esteban D. Gadea; Tchavdar N. Todorov; Damián A. Scherlis
Publicado en: Journal of Physical Chemistry Letters, Edición 13, 2022, Página(s) 11601, ISSN 1948-7185
Editor: American Chemical Society
DOI: 10.1021/acs.jpclett.2c02795

Features of Second Harmonic Generation of Intense Short Laser Pulses in Crystals with a Regular Domain Structure Under Conditions of Self-Action, Nonstationarity, and Synchronism of Group Velocities

Autores: Z. J. Ruziev, O. M. Fedotova, O. Kh. Khasanov & U. K. Sapaev
Publicado en: Journal of Applied Spectroscopy, Edición 88, 2021, Página(s) 514, ISSN 0021-9037
Editor: Kluwer Academic Publishers
DOI: 10.1007/s10812-021-01202-7

QM/MM optimization with quantum coupling: Host–guest interactions in a pentacene-doped <i>p</i>-terphenyl crystal

Autores: Andrés I. Bertoni; Richard M. Fogarty; Cristián G. Sánchez; Andrew P. Horsfield
Publicado en: J. Chem. Phys., Edición 156, 2022, Página(s) 044110, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/5.0079788

Unified model for a nonlinear pulse propagation in composites and optimization of THz generation

Autores: A. Husakou; O. Fedotova; R. Rusetsky; O. Khasanov; T. Smirnova; A. Fedotov; T. Apostolova; I. Babushkin; U. Sapaev
Publicado en: Physical Review A, Edición 108, 2023, Página(s) 013506, ISSN 2469-9926
Editor: American Physical Society
DOI: 10.1103/physreva.108.013506

High efficient optical parametric amplification of femtosecond pulses in MgO doped PPLN crystals at 3.4 µm

Autores: Sabirov, Obid I.; Sornambigai, G.; Raja, R. Vasantha Jayakantha; Pandiyan, Krishnamoorthy; Sapaev, Usman K.
Publicado en: Opt. Quant. El., Edición 55, 2023, Página(s) 725, ISSN 1572-817X
Editor: Springer
DOI: 10.1007/s11082-023-04990-8

Double-pulse-laser volumetric modification of fused silica: the effect of pulse delay on light propagation and energy deposition

Autores: M. Zukerstein,V. P. Zhukov,T. J.-Y. Derrien, O. Fedotova, N. M. Bulgakova
Publicado en: Optics Express, Edición 32, 2024, Página(s) 12882, ISSN 1094-4087
Editor: Optical Society of America
DOI: 10.1364/oe.515766

Efficient Third-Harmonic Generation by Inhomogeneous Quasi-Phase-Matching in Quadratic Crystals

Autores: Obid I. Sabirov; Gaetano Assanto; Usman K. Sapaev
Publicado en: Photonics, Edición 10, 2023, Página(s) 76, ISSN 2304-6732
Editor: MDPI
DOI: 10.3390/photonics10010076

Merging of Bi-Modality of Ultrafast Laser Processing: Heating of Si/Au Nanocomposite Solutions with Controlled Chemical Content

Autores: Yury V. Ryabchikov, Inam Mirza, Miroslava Flimelová, Antonin Kana, Oleksandr Romanyuk
Publicado en: Nanomaterials, Edición 14, 2024, Página(s) 321, ISSN 2079-4991
Editor: MDPI
DOI: 10.3390/nano14040321

A simple approximation to the electron–phonon interaction in population dynamics

Autores: Carlos M. Bustamante, Tchavdar N. Todorov, Cristián G. Sánchez, Andrew Horsfield, Damian A. Scherlis
Publicado en: The Journal of Chemical Physics, Edición 153, 2023, ISSN 0021-9606
Editor: American Institute of Physics
DOI: 10.1063/5.0031766

An excitonic model for the electron–hole plasma relaxation in proton-irradiated insulators

Autores: Lorenzo Stella; Jonathan Smyth; Brendan Dromey; Jorge Kohanoff; Jorge Kohanoff
Publicado en: The European Physical Journal D, Edición 75, 2021, Página(s) 203, ISSN 1434-6060
Editor: Springer Verlag
DOI: 10.1140/epjd/s10053-021-00215-3

Radiative thermalization in semiclassical simulations of light-matter interaction

Autores: Esteban D. Gadea; Carlos M. Bustamante; Tchavdar N. Todorov; Damián A. Scherlis
Publicado en: Physical Review A, Edición 105, 2022, Página(s) 42201, ISSN 1094-1622
Editor: American Physical Society
DOI: 10.1103/physreva.105.042201

Tunable in situ near-UV pulses by transient plasmonic resonance in nanocomposites

Autores: Husakou, Anton; Babushkin, Ihar; Fedotova, Olga; Rusetsky, Ryhor; Smirnova, Tatsiana; Khasanov, Oleg; Fedotov, Alexander; Sapaev, Usman; Apostolova, Tzveta
Publicado en: Optics Express, Edición 31, 2023, Página(s) 501153, ISSN 1094-4087
Editor: Optical Society of America
DOI: 10.1364/oe.501153

Metallic nanostructures as electronic billiards for nonlinear terahertz photonics

Autores: Ihar Babushkin, Liping Shi, Ayhan Demircan, Uwe Morgner, Joachim Herrmann, Anton Husakou
Publicado en: Physical Review Research, Edición 5, 2023, ISSN 2643-1564
Editor: American Physical Society
DOI: 10.1103/physrevresearch.5.043151

On the Theoretical Analysis of Parametric Amplification of Femtosecond Laser Pulses in Crystals with a Regular Domain Structure

Autores: O. I. Sabirov, D. B. Yusupov, N. A. Akbarova, U. K. Sapaev
Publicado en: NONLINEAR AND PARAMETRIC OPTICS, Edición 30, 2022, Página(s) 277, ISSN 1934-807X
Editor: Springer
DOI: 10.3103/s1541308x22040082

Volumetric Modification of Transparent Materials with Two-Color Laser Irradiation: Insight from Numerical Modeling

Autores: V. P. Zhukov, N. M. Bulgakova
Publicado en: Materials, Edición 17, 2024, Página(s) 1763, ISSN 1996-1944
Editor: MDPI Open Access Publishing
DOI: 10.3390/ma17081763

Dissipative Equation of Motion for Electromagnetic Radiation in Quantum Dynamics

Autores: Bustamante, Carlos M.; Gadea, Esteban D.; Horsfield, Andrew; Todorov, Tchavdar N.; González Lebrero, Mariano C.; Scherlis, Damián A.
Publicado en: Physical Review Letters, Edición 126, 2021, Página(s) 87401, ISSN 1079-7114
Editor: American Physical Society
DOI: 10.1103/physrevlett.126.087401

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