From the 1 of 19 linked papers with an AI index.
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pynxtools: A Python framework for generating and validating NeXus files in experimental data workflows
Sherjeel Shabih, Lukas Pielsticker, Florian Dobener +19
Scientific data across physics, materials science, and materials engineering often lacks adherence to FAIR principles (Barker et al., 2022; Jacobsen et al., 2020; M. D. Wilkinson e…
First-principles approach to ultrafast pump-probe spectroscopy in solids
Lu Qiao, Ronaldo Rodrigues Pela, Claudia Draxl
Pump-probe spectroscopy is a powerful tool to study ultrafast exciton dynamics, revealing the underlying complex interactions on the electronic scale. Despite significant advances…
Efficient and BSE calculations of heterostructures within an all-electron framework
Maximilian Schebek, Ignacio Gonzalez Oliva, Claudia Draxl
The combination of two-dimensional materials into heterostructures offers new opportunities for the design of optoelectronic devices with tunable properties. However, computing ele…
Zero-energy band observation in an interfacial chalcogen-organic network
Yichen Jin, Ignacio Gonzalez Oliva, Hibiki Orio +12
Structurally-defined molecule-based lattices such as covalent organic or metal-organic networks on substrates, have emerged as highly tunable, modular platforms for two-dimensional…
The 2025 Roadmap to Ultrafast Dynamics: Frontiers of Theoretical and Computational Modelling
Fabio Caruso, Michael A. Sentef, Claudio Attaccalite +27
The exploration of ultrafast phenomena is a frontier of condensed matter research, where the interplay of theory, computation, and experiment is unveiling new opportunities for und…