Current status of the MB-pol data-driven many-body potential for predictive simulations of water across different phases

E Palos, EF Bull-Vulpe, X Zhu, H Agnew… - Journal of Chemical …, 2024 - ACS Publications
Develo** a molecular-level understanding of the properties of water is central to
numerous scientific and technological applications. However, accurately modeling water …

Progress in in situ characterization of electrocatalysis

W Shen, Y Ye, Q **a, P ** - EES Catalysis, 2025 - pubs.rsc.org
With the continuous development and extensive research of electrocatalytic technology, the
unclear dynamic catalytic reaction process limits the in-depth study of reaction regulation …

Attosecond impulsive stimulated X-ray Raman scattering in liquid water

O Alexander, F Egun, L Rego, AM Gutierrez… - Science …, 2024 - science.org
We report the measurement of impulsive stimulated x-ray Raman scattering in neutral liquid
water. An attosecond pulse drives the excitations of an electronic wavepacket in water …

Attosecond formation of charge-transfer-to-solvent states of aqueous ions probed using the core-hole-clock technique

E Muchova, G Gopakumar, I Unger, G Öhrwall… - Nature …, 2024 - nature.com
Charge transfer between molecules lies at the heart of many chemical processes. Here, we
focus on the ultrafast electron dynamics associated with the formation of charge-transfer-to …

Measurement of coherent vibrational dynamics with X-ray Transient Absorption Spectroscopy simultaneously at the Carbon K- and Chlorine L2,3- edges

AD Ross, D Hait, V Scutelnic, DM Neumark… - Communications …, 2024 - nature.com
Abstract X-ray Transient Absorption Spectroscopy (XTAS) is a powerful probe for ultrafast
molecular dynamics. The evolution of XTAS signal is controlled by the shapes of potential …

Few-cycle 12.5-GW pulses generated via efficient all-solid-state post-compression from<? pag\break?> an ytterbium laser

Y Liu, Z Chen, S Yang, Y He, X Wang, Y Ma, C Zhou… - Optics Letters, 2024 - opg.optica.org
In contrast to the more conventional gas-filled post-compression technique, solid-state-
based multi-pass cells and multiple plates allow for the robust and efficient generation of …

Transmissions of an x-ray free electron laser pulse through Al: Influence of nonequilibrium electron kinetics

C Gao, Y Li, F **, J Zeng, J Yuan - Physical Review E, 2024 - APS
A theoretical model for investigating the radiative transfer of an x-ray free electron laser
(XFEL) pulse is developed based on a one-dimensional radiative transfer equation. The …

The X-ray science frontier is ultra-short and ultra-intense

SM Vinko - Nature Photonics, 2024 - nature.com
Real-time electron dynamics studies of complex systems require bright attosecond pump-
probe capabilities at X-ray wavelengths. Nano-focusing schemes reaching intensities in …

[HTML][HTML] Electronic structure simulations in the cloud computing environment

EJ Bylaska, A Panyala, NP Bauman, B Peng… - The Journal of …, 2024 - pubs.aip.org
The transformative impact of modern computational paradigms and technologies, such as
high-performance computing (HPC), quantum computing, and cloud computing, has opened …

Attosecond X-ray laser vision

D Zhu, DA Reis - Nature Photonics, 2024 - nature.com
In the past decade and a half, X-ray free-electron lasers (FELs) have revolutionized our
ability to understand and control the atomic-scale structure and dynamics of matter. They …