Publications associées à Photophysical and Computational Analysis of a Symmetrical Fluorene-Based Janus Dione Derivative

Applications of the thawed Gaussian approximation to electronic spectroscopy

The exploration of electronically excited states and the study of diverse photochemical and photophysical processes are the main goals of molecular electronic spectroscopy. Exact quantum-mechanical simulation of such experiments is, however, beyond current ...

EPFL2024

Automated all-functionals infrared and Raman spectra

Nicola Marzari, Lorenzo Bastonero

Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these measurements freq ...

Nature Portfolio2024

Linear Recursive State Estimation of Hybrid and Unbalanced AC/DC Micro-Grids using Synchronized Measurements

Mario Paolone, Willem Lambrichts

In this paper, we present an exact (i. e. non-approximated) and linear measurement model for hybrid AC/DC microgrids for recursive state estimation (SE). More specifically, an exact linear model of a voltage source converter (VSC) is proposed. It relies on ...

New York2023

Linear Recursive State Estimation of Hybrid and Unbalanced AC/DC Micro-Grids using Synchronized Measurements

Mario Paolone, Willem Lambrichts

In this paper, we present an exact (i.e. non-approximated) and linear measurement model for hybrid AC/DC micro-grids for recursive state estimation (SE). More specifically, an exact linear model of a voltage source converter (VSC) is proposed. It relies on ...

2022

Asymptotic Errors for Teacher-Student Convex Generalized Linear Models (Or: How to Prove Kabashima’s Replica Formula)

Florent Gérard Krzakala, Alia Abbara

There has been a recent surge of interest in the study of asymptotic reconstruction performance in various cases of generalized linear estimation problems in the teacher-student setting, especially for the case of i.i.d standard normal matrices. Here, we g ...

2022

Efficient Semiclassical Dynamics for Vibronic Spectroscopy beyond Harmonic, Condon, and Zero-Temperature Approximations

Jiri Vanicek, Tomislav Begusic

Understanding light-induced processes in biological and human-made molecular systems is one of the main goals of physical chemistry. It has been known for years that the photoinduced dynamics of atomic nuclei can be studied by looking at the vibrational su ...

2021

Efficient ab initio semiclassical dynamics for linear and nonlinear electronic spectroscopy

Tomislav Begusic

Molecular spectroscopy is an essential experimental technique in both fundamental physical sciences and applied research. For example, electronic spectroscopy, in which light induces a change in the electronic state of a molecule, is a powerful tool for st ...

EPFL2021

Imaging-based spectrometer-less optofluidic biosensors based on dielectric metasurfaces for detecting extracellular vesicles

Hatice Altug, Michele De Palma, Chiara Cianciaruso, Filiz Yesilköy, Yasaman Jahani, Eduardo Romero Arvelo

Biosensors are indispensable tools for public, global, and personalized healthcare as they provide tests that can be used from early disease detection and treatment monitoring to preventing pandemics. We introduce single-wavelength imaging biosensors capab ...

Nature Research2021

Femtosecond Spectroscopy of Au Hot-Electron Injection into TiO2: Evidence for Au/TiO(2 )Plasmon Photocatalysis by Bactericidal Au Ions and Related Phenomena

Juan Kiwi, Sami Rtimi

In the present work, we provide evidence for visible light irradiation of the Au/TiO2 nanoparticles' surface plasmon resonance band (SPR) leading to electron injection from the Au nanoparticles to the conduction band of TiO2. The Au/TiO2 SPR band is shown ...

2019

Many-body perturbation theory calculations using the yambo code

Antimo Marrazzo, Gianluca Prandini, Andrea Ferretti

yambo is an open source project aimed at studying excited state properties of condensed matter systems from first principles using many-body methods. As input, yambo requires ground state electronic structure data as computed by density functional theory c ...

2019