4.5k citations
- Rutherford Appleton LaboratoryGB261 papers
- University of OxfordGB123 papers
- Centre National de la Recherche ScientifiqueFR99 papers
- University College LondonGB93 papers
- University of CambridgeGB77 papers
- University of EdinburghGB71 papers
- California Institute of TechnologyUS63 papers
- University of ManchesterGB59 papers
- University of PittsburghUS56 papers
- University of SussexGB55 papers
- Nagoya UniversityJP54 papers
- Brookhaven National LaboratoryUS52 papers
428 papers
uMOF: A Universal Database, Benchmark, and Machine Learning Interatomic Potentials for Metal-Organic Frameworks
Théo Jaffrelot Inizan, Prathami Divakar Kamath, Alin Marin Elena +1
Foundation machine learning interatomic potentials (MLIPs) deliver near-ab-initio accuracy at a fraction of the computational cost, yet their promise for Metal-organic Frameworks (…
Future perspective of muons; a quantum particle measuring quantum processes
Adam Berlie, Sayani Biswas, Alex Louat +2
Although considered a niche technique, muon spectroscopy provides a unique and complementary insight into a range of different materials from hard condensed matter to biological sa…
Analyses on Christoph Clavius' Reports of Total Solar Eclipses in 1560 and 1567: Key References for the Centennial Variations of the Earth's Rotation Speed and the Solar Radius
Hisashi Hayakawa, Mitsuru Sôma, Jean-Pierre Rozelot +4
Variations in solar radius (hereafter R_Sun) is a key reference for solar magnetic activity in time. The sunlight amount may have varied with R_Sun and had an effect on the Earth's…
Spin-orbit-entangled magnetism and unconventional spin freezing in the bond-disordered pyrochlore antiferromagnet NaCdCoF
Andrej Kancko, Hironori Sakai, Javier Herrero-Martín +6
Bond disorder in frustrated pyrochlore antiferromagnets can give rise to fundamentally different quantum ground states depending on the nature of the local magnetic moments. Here,…
Advancing Heliophysics and Space Weather Modeling through Open Science
C. Corti, M. M. Kuznetsova, M. A. Reiss +85
We present a community-wide effort to develop a strategy and action plan to advance heliophysics and space weather modeling through open science. While open science has the potenti…
An Efficient On-the-Fly Nonadiabatic Coupling Framework Integrated into CP2K
Xiaoke He, Hsiao-Yi Tsai, Ziwei Chai +3
Nonadiabatic molecular dynamics (NAMD) is widely used to describe hot electron relaxation and nonradiative recombination processes, but high computational costs limit its applicati…