Improving the accuracy and efficiency of time-resolved electronic spectra calculations: Cellular dephasing representation with a prefactor

À propos
Confidentialité
Mentions légales

Graph Chatbot

Publications associées (31)

An optimal preconditioned FFT-accelerated finite element solver for homogenization

Till Junge, Ali Falsafi, Martin Ladecký

We generalize and provide a linear algebra-based perspective on a finite element (FE) ho-mogenization scheme, pioneered by Schneider et al. (2017)[1] and Leuschner and Fritzen (2018)[2]. The efficiency of the scheme is based on a preconditioned, well-scale ...

ELSEVIER SCIENCE INC2023

Computation of the attenuation function of the lightning return-stroke current from electromagnetic fields measured in a short-duration time-window, Part I: Theoretical investigation

Farhad Rachidi-Haeri, Marcos Rubinstein

In a recent paper, a procedure to reconstruct the attenuation function of a return-stroke current from the simultaneous measurements of the channel-base current and the radiated electromagnetic fields was presented. One of the assumptions of the whole fram ...

Elsevier2023

Exploring the effectiveness of using internal CNC system signals for chatter detection in milling process

Dimitrios Kyritsis, Roberto Pérez, Xiaochen Zheng

Chatter is a harmful self-excited vibration that commonly occurs during milling processes. Data -driven chatter detection and prediction is critical to achieve high surface quality and process efficiency. Most existing chatter detection approaches are base ...

ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD2023

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Justin Villard

Computational chemistry aims to simulate reactions and molecular properties at the atomic scale, advancing the design of novel compounds and materials with economic, environmental, and societal implications. However, the field relies on approximate quantum ...

EPFL2023

Electron spectrometer calibration method

Thomas La Grange, Tobias Kippenberg, Fabrizio Carbone, Arslan Sajid Raja, Alexey Sapozhnik, Yujia Yang

The present invention concerns an energy dispersion calibration method for calibrating an electron spectrometer of an electron spectrometer system including at least one electron emission source, electron optics and the electron spectrometer. The method co ...

2023

Bridging Native and Intrinsic Structures of Microhydrated Biomolecules by Cold Ion Spectroscopy

Andrei Zviagin

Solving native structures of such large molecules, like biomolecules, is often challenging, particularly due to the potentially infinite number of non-covalent interactions with water. In this thesis, we report the use of cold ion gas-phase action spectros ...

EPFL2023

A Statistical Framework to Investigate the Optimality of Signal-Reconstruction Methods

Michaël Unser, Pakshal Narendra Bohra, Pol del Aguila Pla

We present a statistical framework to benchmark the performance of reconstruction algorithms for linear inverse problems, in particular, neural-network-based methods that require large quantities of training data. We generate synthetic signals as realizati ...

2023

Fluorescence crosstalk reduction by modulated excitation-synchronous acquisition for multispectral analysis in high-throughput droplet microfluidics

Christoph Merten, Jatin Panwar

Crosstalk between fluorescent biomarkers significantly limits the resolution of multispectral fluorescence analysis in real-time droplet-microfluidics applications. The crosstalk is a result of overlapping emission and excitation spectra of different fluor ...

ROYAL SOC CHEMISTRY2023

Nanomechanical resonators with low dissipation for quantum optomechanics

Alberto Beccari

Fields of technology as diverse as microwave filter construction, characterization of material interfaces with atomic precision, and detection of gravitational waves from astronomical sources employ mechanical resonators at their core. The utility of mecha ...

EPFL2023

Using Hadamard Transform Multiplexed IR Spectroscopy Together with a Segmented Ion Trap for the Identification of Mobility-Selected Isomers

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

The high isomeric complexity of glycans makes them particularly difficult to analyze. While ultra-high-resolution ion mobility spectrometry(IMS) can offer rapid baseline separation of many glycan isomers,their unambiguous identification remains a challengi ...

2023

Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics

Jiri Vanicek, Yannick Calvino Alonso, Eriks Kletnieks

Despite its simplicity, the single-trajectory thawed Gaussian approximation has proven useful for calculating the vibrationally resolved electronic spectra of molecules with weakly anharmonic potential energy surfaces. Here, we show that the thawed Gaussia ...

2023

Page 2 sur 2