Machine learning for electronically excited states of molecules

J Westermayr, P Marquetand - Chemical Reviews, 2020 - ACS Publications
Electronically excited states of molecules are at the heart of photochemistry, photophysics,
as well as photobiology and also play a role in material science. Their theoretical description …

Artificial intelligence to power the future of materials science and engineering

W Sha, Y Guo, Q Yuan, S Tang, X Zhang… - Advanced Intelligent …, 2020 - Wiley Online Library
Artificial intelligence (AI) has received widespread attention over the last few decades due to
its potential to increase automation and accelerate productivity. In recent years, a large …

[PDF][PDF] AI applications through the whole life cycle of material discovery

J Li, K Lim, H Yang, Z Ren, S Raghavan, PY Chen… - Matter, 2020 - cell.com
We provide a review of machine learning (ML) tools for material discovery and sophisticated
applications of different ML strategies. Although there have been a few published reviews on …

[HTML][HTML] An ultra-compact x-ray free-electron laser

JB Rosenzweig, N Majernik, RR Robles… - New Journal of …, 2020 - iopscience.iop.org
In the field of beam physics, two frontier topics have taken center stage due to their potential
to enable new approaches to discovery in a wide swath of science. These areas are …

Machine learning in materials design: Algorithm and application

Z Song, X Chen, F Meng, G Cheng, C Wang… - Chinese …, 2020 - iopscience.iop.org
Traditional materials discovery is in'trial-and-error'mode, leading to the issues of low-
efficiency, high-cost, and unsustainability in materials design. Meanwhile, numerous …

[HTML][HTML] Towards molecular movies with X-ray photon correlation spectroscopy

F Perakis, C Gutt - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
In this perspective article we highlight research opportunities and challenges in probing
structural dynamics of molecular systems using X-ray Photon Correlation Spectroscopy …

Design, specifications, and first beam measurements of the compact linear accelerator for research and applications front end

D Angal-Kalinin, A Bainbridge, AD Brynes… - … Review Accelerators and …, 2020 - APS
The compact linear accelerator for research and applications (CLARA) is an ultrabright
electron beam test facility being developed at STFC Daresbury Laboratory. The ultimate aim …

Purifying electron spectra from noisy pulses with machine learning using synthetic Hamilton matrices

S Kumar Giri, U Saalmann, JM Rost - Physical Review Letters, 2020 - APS
Photoelectron spectra obtained with intense pulses generated by free-electron lasers
through self-amplified spontaneous emission are intrinsically noisy and vary from shot to …

[HTML][HTML] Pulse-to-pulse wavefront sensing at free-electron lasers using ptychography

S Sala, BJ Daurer, M Odstrcil, F Capotondi… - Journal of applied …, 2020 - scripts.iucr.org
The pressing need for knowledge of the detailed wavefront properties of ultra-bright and
ultra-short pulses produced by free-electron lasers has spurred the development of several …

THz streak camera performance for single-shot characterization of XUV pulses with complex temporal structures

T Oelze, O Kulyk, B Schütte, U Frühling, E Klimešová… - Optics express, 2020 - opg.optica.org
The THz-field-driven streak camera has proven to be a powerful diagnostic-technique that
enables the shot-to-shot characterization of the duration and the arrival time jitter of free …