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Related papers: Parameter-free extraction of EMCD

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Two-dimensional electronic spectroscopy has become one of the main experimental tools for analyzing the dynamics of excitonic energy transfer in large molecular complexes. Simplified theoretical models are usually employed to extract model…

Chemical Physics · Physics 2019-01-17 Mirta Rodríguez , Tobias Kramer

An efficient first principles approach to calculate X-ray magnetic circular dichroism (XMCD) and X-ray natural circular dichroism (XNCD) is developed and applied in the near edge region at the K-and L1-edges in solids. Computation of…

Knowledge of molecular structure is paramount in understanding, and ultimately influencing, chemical reactivity. For nearly a century, diffractive imaging has been used to identify the structures of many biologically-relevant gas-phase…

Chemical Physics · Physics 2020-03-09 Kasra Amini , Jens Biegert

In this chapter, we demonstrate a general formulation of the Finite Element Method allowing to calculate the diffraction efficiencies from the electromagnetic field diffracted by arbitrarily shaped gratings embedded in a multilayered stack…

Optics · Physics 2013-02-06 Guillaume Demésy , Frédéric Zolla , André Nicolet , Benjamin Vial

All-dielectric metasurfaces can produce structural colors, but the most advantageous design criteria are still being investigated. This work numerically studies how the two-dimensional shape of nanoparticles affects the colorimetric…

Optics · Physics 2025-08-06 Zaid Haddadin , Anna My Nguyen , Lisa V. Poulikakos

The coupling of an electron monochromator (EM) to a mass spectrometer (MS) has created a new analytical technique, EM-MS, for the investigation of electrophilic compounds. This method provides a powerful tool for molecular identification of…

X-ray linear dichroism has been pivotal for probing electronic anisotropies, but its inherent limited spatial resolution precludes atomic-scale investigations of orbital polarization. Here we introduce a versatile electron linear dichroism…

Materials Science · Physics 2025-11-25 Roger Guzman , Ján Rusz , Ang Li , Juan Carlos Idrobo , Wu Zhou , Jaume Gazquez

Machine learning is attracting surging interest across nearly all scientific areas by enabling the analysis of large datasets and the extraction of scientific information from incomplete data. Data-driven science is rapidly growing,…

Applied Physics · Physics 2025-03-17 Sung Yun Lee , Do Hyung Cho , Chulho Jung , Daeho Sung , Daewoong Nam , Sangsoo Kim , Changyong Song

Cryo-electron microscopy (EM) single particle reconstruction is an entirely general technique for 3D structure determination of macromolecular complexes. However, because the images are taken at low electron dose, it is extremely hard to…

Computer Vision and Pattern Recognition · Computer Science 2019-04-17 Yifeng Fan , Zhizhen Zhao

We propose a new method to compute band structures of dispersive photonic crystals. It can treat arbitrarily frequency-dependent, lossy or lossless materials. The band structure problem is first formulated as the eigenvalue problem of an…

Numerical Analysis · Mathematics 2020-10-06 Wenqiang Xao , Jiguang Sun

Using a model methane-like chiral system, we theoretically demonstrate a possibility to access photoelectron circular dichroism (PECD) by a single experiment with two overlapping laser pulses of carrier frequencies $\omega$ and $2\omega$,…

Atomic and Molecular Clusters · Physics 2018-12-20 Philipp V. Demekhin , Anton N. Artemyev , Alexander Kastner , Thomas Baumert

It is commonly accepted that the magnitude of a photoelectron circular dichroism (PECD) is governed by the ability of an outgoing photoelectron wave packet to probe the chiral asymmetry of a molecule. To be able to accumulate this…

Recent interest in structure solution and refinement using electron diffraction (ED) has been fuelled by its inherent advantages when applied to crystals of sub-micron size, as well as a better sensitivity to light elements. Currently, data…

Computational Physics · Physics 2022-08-23 Anton Cleverley , Richard Beanland

This paper proposes a data-driven model for solving the inverse problem of electrocardiography, the mathematical problem that forms the basis of electrocardiographic imaging (ECGI). We present a conditional diffusion framework that learns a…

Machine Learning · Computer Science 2026-01-27 Ramiro Valdes Jara , Adam Meyers

Three-dimensional phase contrast imaging of multiply-scattering samples in X-ray and electron microscopy is extremely challenging, due to small numerical apertures, the unavailability of wavefront shaping optics, and the highly nonlinear…

Computational Physics · Physics 2021-06-02 Philipp M Pelz , Hamish G Brown , Jim Ciston , Scott D Findlay , Yaqian Zhang , Mary Scott , Colin Ophus

Quantitative electron magnetic circular dichroism (EMCD) in transmission electron microscopy (TEM) enables the measurement of magnetic moments with elemental and atomic site sensitivity, but its practical application is fundamentally…

Materials Science · Physics 2025-10-29 Hitoshi Makino , Bernd Rellinghaus , Sebastian Schneider , Axel Lubk , Darius Pohl

Electrode polarization error is the biggest problem when measuring the low frequency dielectric properties of electrolytes or suspensions of particles, including cells, in electrolytes. We present a simple and robust method to remove the…

Soft Condensed Matter · Physics 2008-05-13 Camelia Prodan , Corina Bot

The recently proposed concept of metagrating enables wavefront manipulation of electromagnetic (EM) waves with unitary efficiency and relatively simple fabrication requirements. Herein, two-dimensional (2D) metagratings composed of a 2D…

Classical Physics · Physics 2022-04-13 Mahdi Rahmanzadeh , Amin Khavasi

Mechanical properties in crystals are strongly correlated to the arrangement of 1D line defects, termed dislocations. Recently, Dark field X-ray Microscopy (DFXM) has emerged as a new tool to image and interpret dislocations within crystals…

Materials Science · Physics 2026-01-13 Pin-Hua Huang , Ryan Coffee , Leora Dresselhaus-Marais

Infinitesimal electric and magnetic dipoles are widely used as an equivalent radiating source model. In this paper, an improved method for dipole extraction from magnitude-only electromagnetic-field data based on genetic algorithm and…

Signal Processing · Electrical Eng. & Systems 2019-01-23 Chunyu Wu , Ze Sun , Xu Wang , Yansheng Wang , Ben Kim , Jun Fan
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