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 …
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 …
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
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 …
applications of different ML strategies. Although there have been a few published reviews on …
[HTML][HTML] An ultra-compact x-ray free-electron laser
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 …
to enable new approaches to discovery in a wide swath of science. These areas are …
Machine learning in materials design: Algorithm and application
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 …
efficiency, high-cost, and unsustainability in materials design. Meanwhile, numerous …
[HTML][HTML] Towards molecular movies with X-ray photon correlation spectroscopy
In this perspective article we highlight research opportunities and challenges in probing
structural dynamics of molecular systems using X-ray Photon Correlation Spectroscopy …
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 …
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 …
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 …
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
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 …
enables the shot-to-shot characterization of the duration and the arrival time jitter of free …