Ultrafast molecular photophysics in the deep-ultraviolet

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Applications such as optical clocks, gas spectroscopy, and optical coherent tomography stand to benefit significantly from the integration of on-chip supercontinuum sources. Materials exhibiting both second- and third-order nonlinearities are particularly ...

Energy dispersive x-ray (EDX) spectrum imaging yields compositional information with a spatial resolution down to the atomic level. However, experimental limitations often produce extremely sparse and noisy EDX spectra. Under such conditions, every detecte ...

Excitons play an essential role in the optical response of two-dimensional materials. These are bound states showing up in the band gaps of many-body systems and are conceived as quasiparticles formed by an electron and a hole. By performing real-time simu ...

Isolated attosecond pulses from an X-ray free-electron laser are in high demand for attosecond science, which enables the probing of electron dynamics by X-ray nonlinear spectroscopy and single-particle imaging. The aim of this thesis is to simulate attos ...

Optical parametric amplification is a promising alternative to traditional erbium-doped amplifiers, offering unidirectional, low-noise, and broadband amplification. Here we present an integrated continuous-traveling-wave parametric amplifier that surpasses ...

Machine learning has provided a means to accelerate early-stage drug discovery by combining molecule generation and filtering steps in a single architecture that leverages the experience and design preferences of medicinal chemists. However, designing mach ...

Understanding metal surface reconstruction is of the utmost importance in electrocatalysis, as this phenomenon directly affects the nature of available active sites. However, its dynamic nature renders surface reconstruction notoriously difficult to study. ...

The optical domain presents potential avenues for enhancing both computing and communication due to its inherent properties of bandwidth, parallelism, and energy efficiency. This research focuses on harnessing 3-Dimensional (3D) diffractive optics for nove ...

Photonics integrated circuits are a promising solution for the growing demands of data transmission and future system-on-chip technologies. Within this context, nonlinear optical interactions offer unique opportunities for all-optical processing, sampling, ...

The present work proposes an extension to the approach of [Xi, C; et al. J. Chem. Theory Comput. 2022, 18, 6878] to calculate ion solvation free energies from first-principles (FP) molecular dynamics (MD) simulations of a hybrid solvation model. The approa ...

Living photovoltaics are microbial electrochemical devices that use whole cell–electrode interactions to convert solar energy to electricity. The bottleneck in these technologies is the limited electron transfer between the microbe and the electrode surfac ...

Chip -scale optical frequency combs enable the generation of highly -coherent pulsed light at gigahertz-level repetition rates, with potential technological impact ranging from telecommunications to sensing and spectroscopy. In combination with techniques ...

DEMO will have a limited diagnostic set for optimization of reactor performance, and limited diagnostic coverage due to challenging reactor conditions. This poses challenges for control, especially for detachment control which is planned to be performed wi ...

Quantum optics studies how photons interact with other forms of matter, the understanding of which was crucial for the development of quantum mechanics as a whole. Starting from the photoelectric effect, the quantum property of light has led to the develop ...

Free-electron lasers and high-harmonic-generation table-top systems are new sources of extreme-ultraviolet to hard X-ray photons, providing ultrashort pulses that are intense, coherent and tunable. They are enabling a broad range of nonlinear optical and s ...

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 ...

In aqueous solutions, a charged surface causes the redistribution of nearby ions. The ion layers formed are known as the electrical double layer (EDL), and are widespread in many systems involving electrochemistry, colloidal science, biomedicine, and energ ...

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 ...

Optical parametric oscillators enable the conversion of pump light to new frequency bands using nonlinear optical processes. Recent advances in integrated nonlinear photonics have led to the creation of compact, chip-scale sources via Kerr-nonlinearity-ind ...

The invention of 3D atomic force microscopy (3D-AFM) has enabled visualizing subnanoscale 3D hydration structures. Meanwhile, its applications to imaging flexible molecular chains have started to be experimentally explored. However, the validity and princi ...

Ultrafast molecular photophysics in the deep-ultraviolet

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Multi-octave bandwidth supercontinuum generation in crystalline Aluminum Nitride-on-sapphire waveguides

A Multiscale Bayesian Approach to Quantification and Denoising of Energy-dispersive X-ray Data

Exciton migration in two-dimensional materials

Numerical Study of the Attosecond Free-Electron Laser Pulse Generation in the Soft X-ray Regime at the SwissFEL

An Integrated Gallium Phosphide Optical Parametric Amplifier

Machine learning-aided generative molecular design

Solution-based Cu+ transient species mediate the reconstruction of copper electrocatalysts for CO2 reduction

3D diffractive optics for linear interconnects and nonlinear processing

Parametric Wavelength Conversion in Waveguiding Structures: Efficiency, Bandwidth and Polarization

Solvation Free Energies from Machine Learning Molecular Dynamics

Polydopamine-coated photoautotrophic bacteria for improving extracellular electron transfer in living photovoltaics

Dissipative Kerr soliton generation at 2μm in a silicon nitride microresonator

Demonstration of a sparse sensor placement technique to the limited diagnostic set in a fusion power plant

Room-Temperature Quantum Optomechanics and Free-Electron Quantum Optics

Progress and prospects in nonlinear extreme-ultraviolet and X-ray optics and spectroscopy

Applications of the thawed Gaussian approximation to electronic spectroscopy

Second harmonic scattering of nanoparticles: A journey into the electrical double layer

Advancing Computational Chemistry with Stochastic and Artificial Intelligence Approaches

Voltage-tunable optical parametric oscillator with an alternating dispersion dimer integrated on a chip

Revealing the Mechanism Underlying 3D-AFM Imaging of Suspended Structures by Experiments and Simulations