Publications associées à Vibrational modes of Q-balls

Ion Spectroscopy Reveals Structural Difference for Proteins Microhydrated by Retention and Condensation of Water

Protein ubiquitin in its +7 charge state microhydrated by 5 and 10 water molecules has been interrogated in the gas phase by cold ion UV/IR spectroscopy. The complexes were formed either by condensing water onto the unfolded bare proteins in a temperature- ...

Amer Chemical Soc2024

Non-normal forms

Yves-Marie François Ducimetière

In this thesis, we propose to formally derive amplitude equations governing the weakly nonlinear evolution of non-normal dynamical systems, when they respond to harmonic or stochastic forcing, or to an initial condition. This approach reconciles the non-mo ...

EPFL2024

Vibrational NDT with Under-sampled Data through Physics-informed Neural Networks

Olga Fink

The vibrational response of solid materials and structural components is substantially governed by their mechanical and geometrical properties. Low-frequency vibrations and modal frequencies are sensitive to global geometrical deviations, while high-freque ...

2023

Wigner Gaussian dynamics: Simulating the anharmonic and quantum ionic motion

Lorenzo Monacelli

The atomic motion controls important properties of materials, such as thermal transport, phase transitions, and vibrational spectra. However, simulating the ionic dynamics is exceptionally challenging when quantum fluctuations are relevant (e.g., at low te ...

AMER PHYSICAL SOC2023

Linear scattering theory of short-pulse reflectometry

Stephan Brunner, Stefano Coda, Oleg Krutkin

The linear scattering theory of short pulse reflectometry is presented. An expression for the scattering signal is obtained by applying the perturbation theory approach for solving the Helmholtz equation. Based on these analytical results, a method for mea ...

2023

Dynamically crossing diabolic points while encircling exceptional curves: A programmable symmetric-asymmetric multimode switch

Fabrizio Minganti

Nontrivial spectral properties of non-Hermitian systems can lead to intriguing effects with no counterparts in Hermitian systems. For instance, in a two-mode photonic system, by dynamically winding around an exceptional point (EP) a controlled asymmetric-s ...

Nature Portfolio2023

Emergent non-Hermitian localization phenomena in the synthetic space of zero-dimensional bosonic systems

Fabrizio Minganti

Phase transitions in non-Hermitian systems are at the focus of cutting edge theoretical and experimental research. On the one hand, parity-time- (PT-) and anti-PT-symmetric physics have gained ever-growing interest, due to the existence of non-Hermitian sp ...

AMER PHYSICAL SOC2023

A weakly nonlinear amplitude equation approach to the bypass transition in the two-dimensional Lamb–Oseen vortex

François Gallaire, Yves-Marie François Ducimetière

We analytically derive an amplitude equation for the weakly nonlinear evolution of the linearly most amplified response of a non-normal dynamical system. The development generalizes the method proposed in Ducimetière et al. (J. Fluid Mech., vol. 947, 2022, ...

Cambridge University Press2023

Imaging and controlling coherent phonon wave packets in single graphene nanoribbons

Klaus Kern, Yang Luo

The motion of atoms is at the heart of any chemical or structural transformation in molecules and materials. Upon activation of this motion by an external source, several (usually many) vibrational modes can be coherently coupled, thus facilitating the che ...

Nature Portfolio2023

Quantitative Analysis of Nanorough Hydrogenated Si(111) Surfaces through Vibrational Spectral Assignment by Periodic DFT Calculations br

Christophe Ballif, Stefaan De Wolf, Jakub Holovsky

In this work, we use periodic density functional theory(periodic DFT) to rigorously assign vibrational spectra measured on nanorough wet-processed hydrogenated Si(111) surfaces. We compare Si(111)-(1x1) surfaces etched by dilute HF and NH4F, featuring two ...

AMER CHEMICAL SOC2022

Methylidyne Adsorption on Pt(211) Probed by Reflection Absorption Infrared Spectroscopy (RAIRS)

Rainer Beck, Ana Gutiérrez González, Harmina Vejayan

Methylidyne, CH(ads), adsorbed on a Pt(211) surface and its interaction with chemisorbed hydrogen atoms was studied by reflection absorption infrared spectroscopy (RAIRS). Methylidyne was formed on Pt(211) by methane dissociation from a molecular beam foll ...

2022

Making Molecules Vibrate: Interactive Web Environment for the Teaching of Infrared Spectroscopy

Luc Patiny, Berend Smit, Kevin Maik Jablonka

Infrared spectroscopy (IR) is a staple structural elucidation and characterization technique because of its ability to identify functional groups and its ease of use. Interestingly, it allows the capture of electronic effects via their influence on the bon ...

AMER CHEMICAL SOC2022

turboMagnon - A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory

Iurii Timrov

We introduce turboMagnon, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate spin-wave spectra in solid-state materials. The code is based on the noncollinear spin-polarized fram ...

ELSEVIER2022

Structures of the (Imidazole)(n)H+ ... Ar (n=1,2,3) complexes determined from IR spectroscopy and quantum chemical calculations

Valeriu Scutelnic

Here, we present new cryogenic infrared spectra of the (Imidazole) H-n(+) (n=1,2,3) ions. The data was obtained using helium tagging infrared predissociation spectroscopy. The new results were compared with the data obtained by Gerardi et al. (Chem. Phys. ...

SPRINGER/PLENUM PUBLISHERS2023

State-to-state surface scattering of methane studied by bolometric infrared laser tagging detection

Bo-Jung Chen

State-to-state molecule/surface scattering experiments prepare the incident molecules in a specific quantum state and measure the quantum state distribution of the scattered molecules. The comparison of state resolved experiments with theory can serve as s ...

EPFL2022

Single molecule fluorescence and phosphorescence studies using a scanning tunneling microscope

Abhishek Grewal

This thesis investigates novel single-molecule luminescence phenomena at their inherent, sub-molecular length scale. The microscopic understanding of luminescence processes will be crucial for the continued improvement of organic optoelectronic and semicon ...

EPFL2022

High-Throughput Multiplexed Infrared Spectroscopy of Ion Mobility-Separated Species Using Hadamard Transform

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Ali H Abikhodr, Vasyl Yatsyna

Coupling vibrational ion spectroscopy with highresolution ion mobility separation offers a promising approach for detailed analysis of biomolecules in the gas phase. Improvements in the ion mobility technology have made it possible to separate isomers with ...

AMER CHEMICAL SOC2022

Einstein's quantum elevator: Hermitization of non-Hermitian Hamiltonians via a generalized vielbein formalism

Fabrizio Minganti

The formalism for non-Hermitian quantum systems sometimes blurs the underlying physics. We present a systematic study of the vielbeinlike formalism which transforms the Hilbert space bundles of non-Hermitian systems into the conventional ones, rendering th ...

AMER PHYSICAL SOC2022

Binding affinity of p-PD-based schiff-bases towards human serum albumin; in-vitro and in-silico assessment

Kurt Schenk

The Schiff-bases [N,N'-Bis(2-hydroxybenzylidene)-benzene-1,4-diamine (L-1), N,N'-Bis(5-bromo-2-hydroxybenzylidene)-benzene-1,4-diamine (L-2), N,N'-Bis(2-hydroxy-3-methoxy-benzylidene)-benzene-1,4-diamine (L-3), and N,N'-Bis(2-hydroxynaphthylidene)-benzene- ...

ELSEVIER2022

Finite-Temperature, Anharmonicity, and Duschinsky Effects on the Two-Dimensional Electronic Spectra from Ab Initio Thermo-Field Gaussian Wavepacket Dynamics

Jiri Vanicek, Tomislav Begusic

Accurate description of finite-temperature vibrational dynamics is indispensable in the computation of two-dimensional electronic spectra. Such simulations are often based on the density matrix evolution, statistical averaging of initial vibrational states ...

2021