output
20032026
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations

224 papers

cond-mat.mtrl-sci2026

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 (…

cond-mat.other2026

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…

astro-ph.SR2026

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…

cond-mat.str-el2026

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,…

physics.space-ph2026

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…

physics.chem-ph2026

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…