Publications related to Photophysical and Computational Analysis of a Symmetrical Fluorene-Based Janus Dione Derivative

Related publications (39)

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

Atomic investigations of dislocation phenomena in HCP magnesium and BCC high entropy alloys

Xin Liu

Dislocation phenomena in crystal materials are fundamental to understanding mechanical behaviors such as plasticity and strengthening. This study investigates the atomistic mechanisms of dislocation phenomena in hexagonal close-packed (HCP) magnesium (Mg) ...

EPFL2024

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

Stabilization of high-spin Mn ions in tetra-pyrrolic configuration on copper

Magalí Alejandra Lingenfelder

By means of Mn-Cu transmetalation, we incorporated Mn atoms in an array of TCNQ (7,7,8,8-tetracyanoquinodimethane) grown on Cu(100), forming a long range ordered and commensurate metal-organic coordination network (MOCN). Preliminary Sn alloying of the Cu( ...

ELSEVIER2021

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

Survival of rotational alignment in H-2 scattering from Si(100)

Christopher Scott Reilly

We report a state-prepared, state-resolved study of rotational scattering of a diatomic molecule from a solid surface. Specifically, H-2 molecules with 80 meV kinetic energy are rotationally aligned in the j = 3 rotational state via stimulated Raman pumpin ...

AIP Publishing2021

Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain**

Anne-Clémence Corminboeuf, Sergio Vela Llausi, Raimon Fabregat I De Aguilar-Amat, Alan Scheidegger

Azobenzene and its derivatives are one of the most widespread molecular scaffolds used in a range of modern applications, as well as in fundamental research. After photoexcitation, azo-based photoswitches revert back to the most stable isomer on a timescal ...

WILEY-V C H VERLAG GMBH2021

NEAR-ULTRAVIOLET SPECTROSCOPY OF STAR-FORMING GALAXIES FROM eBOSS: SIGNATURES OF UBIQUITOUS GALACTIC-SCALE OUTFLOWS

Jean-Paul Richard Kneib, Anand Stéphane Raichoor, Jeffrey Newman, Timothée Guy Olivier Delubac

We present rest-frame near-ultraviolet (NUV) spectroscopy of star-forming galaxies (SFGs) at 0.6 < z < 1.2 from the Extended Baryon Oscillation Spectroscopic Survey (eBOSS) in SDSS-IV. One of the eBOSS programs is to obtain 2 ''. (about 15 kpc) fiber spect ...

Iop Publishing Ltd2015

Cubic, hexagonal and tetragonal FeGex phases (x = 1, 1.5, 2): Raman spectroscopy and magnetic properties

Anna Fontcuberta i Morral, Dirk Grundler, Nicolas Tappy, Mirjana Dimitrievska, Santhanu Panikar Ramanandan, Anna Kúkol'ová

There is currently an emerging drive towards computational materials design and fabrication of predicted novel materials. One of the keys to developing appropriate fabrication methods is determination of the composition and phase. Here we explore the FeGe ...

2021

Predicting ambient aerosol thermal-optical reflectance (TOR) measurements from infrared spectra: organic carbon

Satoshi Takahama

Organic carbon (OC) can constitute 50% or more of the mass of atmospheric particulate matter. Typically, organic carbon is measured from a quartz fiber filter that has been exposed to a volume of ambient air and analyzed using thermal methods such as therm ...

Copernicus Gesellschaft Mbh2015

Simulation and experimental study of proton bunch self-modulation in plasma with linear density gradients

Ambrogio Fasoli, Sun Hee Kim, Ivo Furno, Patrick Blanchard, Yanis Andrebe, Riccardo Agnello, Alban Sublet, Falk Hans Braunmüller, Christine Stollberg

We present numerical simulations and experimental results of the self-modulation of a long proton bunch in a plasma with linear density gradients along the beam path. Simulation results agree with the experimental results reported [F. Braunmller, T. Nechae ...

2021

Predicting ambient aerosol thermal–optical reflectance measurements from infrared spectra: elemental carbon

Satoshi Takahama

Elemental carbon (EC) is an important constituent of atmospheric particulate matter because it absorbs solar radiation influencing climate and visibility and it adversely affects human health. The EC measured by thermal methods such as thermal-optical refl ...

Copernicus Gesellschaft Mbh2015

LSPR properties of metal nanoparticles adsorbed at a liquid–liquid interface

Hubert Girault, Pingping Fang

Unlike the solid–air and solid–liquid interfaces, the optical properties of metal nanoparticles adsorbed at the liquid–liquid interface have not been theoretically exploited to date. In this work, the three dimensional finite difference time domain (3D-FDT ...

Royal Soc Chemistry2013

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

Michele De Palma, Hatice Altug, Filiz Yesilköy, Chiara Cianciaruso, 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

A Linear Approach to Multi-Panel Sensing in Personalized Therapy for Cancer Treatment

Giovanni De Micheli, Sandro Carrara, Camilla Baj-Rossi

In this paper, a new approach for evaluating the performance of a multi-panel biosensor using linear algebra is presented. With a system-level mathematical analysis based on graphs and linear algebra, we formulate a new approach for contributions decouplin ...

Institute of Electrical and Electronics Engineers2013

Tunneling Splittings in Water Clusters from Path Integral Molecular Dynamics

Christophe Louis Joseph Jean-Luc Vaillant

We present calculations of tunneling splittings in selected small water clusters, based on a recently developed path integral molecular dynamics (PIMD) method. The ground-rotational-state tunneling motions associated with the largest splittings in the wate ...

2019