Publications related to Non-Resonant Magnetic X-ray Scattering as a Probe of Ultrafast Molecular Spin-State Dynamics: An Ab Initio Theory

Related publications (15)

Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics

Simulating the coupled electronic and nuclear response of a molecule to light excitation requires the application of nonadiabatic molecular dynamics. However, when faced with a specific photophysical or photochemical problem, selecting the most suitable th ...

AMER CHEMICAL SOC2025

Topological hysteretic winding for temporal anti-lasing

Romain Christophe Rémy Fleury, Haoye Qin, Zhe Zhang

Coherent perfect absorption (CPA), or anti-lasing, has been so far inherently restricted to continuous wave scenarios, drastically restricting its applications to standard linear steady-state systems. However, future technologies based on enhanced light-ma ...

Springer Science and Business Media LLC2025

Nonreciprocal Spin Waves in Nanoscale Hybrid Néel–Bloch–Néel Domain Walls Detected by Scanning X‐Ray Microscopy in Perpendicular Magnetic Anisotropic Fe/Gd Multilayers

Axel Johan Marie Deenen, Dirk Grundler, Andrea Mucchietto, Ping Che, Korbinian Baumgärtl

Spin wave nonreciprocity is crucial for signal processing in magnonic circuits. Domain walls (DWs) have been suggested as channels for nonreciprocal spin waves (magnons) with directional‐dependent properties. However, the experimental investigations are ch ...

Wiley2025

Effect of Operating Conditions on the Degradation of BiVO4 Photoanodes

Paul Feurstein, Sophia Haussener, Isaac Thomas Holmes-Gentle, Franky Esteban Bedoya Lora

This work investigates how irradiance, temperature, and electrolyte properties (pH, concentration, and flow rate), influence the degradation of spray-pyrolyzed BiVO4 photoanodes during water splitting for solar fuel production. A novel four-cell photoelect ...

Wiley2025

Individual nanostructures in an epsilon-near-zero material probed with 3D-sculpted light

Lisa Jutta Ackermann

Epsilon-near-zero (ENZ) materials, i.e., materials with a vanishing real part of the permittivity, have become an increasingly desirable platform for exploring linear and nonlinear optical phenomena in nanophotonic and on-chip environments. ENZ materials i ...

Optica Publishing Group2024

Single vibronic level fluorescence spectra from Hagedorn wavepacket dynamics

Jiri Vanicek, Zhan Tong Zhang

In single vibronic level (SVL) fluorescence experiments, the electronically excited initial state is also excited in one or several vibrational modes. Because computing such spectra by evaluating all contributing Franck–Condon factors becomes impractical ( ...

AIP Publishing2024

Integrating symmetry and physical constraints into atomic-scale machine learning

Jigyasa Nigam

Over the past decade, computational atomistic modeling, driven by machine learning (ML), has become indispensable to scientific endeavors, improving our understanding and accelerating the search for compounds with enhanced properties. Traditional atomistic ...

EPFL2024

Modeling the ferroelectric phase transition in barium titanate with DFT accuracy and converged sampling

Michele Ceriotti, Alexander Jan Goscinski, Lorenzo Gigli

The accurate description of the structural and thermodynamic properties of ferroelectrics has been one of the most remarkable achievements of density functional theory (DFT). However, running large simulation cells with DFT is computationally demanding, wh ...

2024

Using Windowed Radon Transform to Measure Local Coherence Independently of Speed-of-Sound Variations in Plane-Wave Imaging

Jean-Philippe Thiran, Samuel Denys Beuret

Several metrics have been proposed in ultrasound pulse-echo imaging to quantify local coherence, with the coherence factor being the most prominent example. However, the coherence factor does not differentiate losses of coherence caused by variations of sp ...

Institute of Electrical and Electronics Engineers Inc.2024

Ultrafast hot-carrier dynamics in ultrathin monocrystalline gold

Giulia Tagliabue

Applications in photodetection, photochemistry, and active metamaterials and metasurfaces require fundamental understanding of ultrafast nonthermal and thermal electron processes in metallic nanosystems. Significant progress has been recently achieved in s ...

Nature Portfolio2024

Machine learning potential for the Cu-W system

William Curtin

Combining the excellent thermal and electrical properties of Cu with the high abrasion resistance and thermal stability of W, Cu-W nanoparticle-reinforced metal matrix composites and nano-multilayers are finding applications as brazing fillers and shieldin ...

2024

Giant Splitting of the Hydrogen Rotational Eigenenergies in the C2 Filled Ice

Richard Gaal

Hydrogen hydrates exhibit a rich phase diagram influenced by both pressure and temperature, with the so-called C2 phase emerging prominently above 2.5 GPa. In this phase, hydrogen molecules are densely packed within a cubic icelike lattice and the interact ...

2024

Real-time tracking of coherent oscillations of electrons in a nanodevice by photo-assisted tunnelling

Klaus Kern

Coherent collective oscillations of electrons excited in metallic nanostructures (localized surface plasmons) can confine incident light to atomic scales and enable strong light-matter interactions, which depend nonlinearly on the local field. Direct sampl ...

NATURE PORTFOLIO2024

Hydrogen Diffusion in Hybrid Perovskites from Exchange NMR

David Lyndon Emsley, Aditya Mishra

Ion migration is an important phenomenon affecting the performance of hybrid perovskite solar cells. It is particularly challenging, however, to disentangle the contribution of H+ diffusion from that of other ions, and the atomic-scale mechanism remains un ...

AMER CHEMICAL SOC2024

Optical imaging of molecules and their dynamics from surfaces to nanoscale confinement

Nathan Cyprien Arsène Ronceray

Molecular behavior can change dramatically at interfaces, and these changes become even more pronounced when molecules are confined within nanoscale dimensions. In living organisms, nanoscale channels play a crucial role in selectively transporting molecul ...

EPFL2024