output
20092026
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

4.5k citations

Showing 2023Show all

13 papers · 1 filter

physics.flu-dyn2023★ 11 cited

Spectrally Decomposed Diffusion Models for Generative Turbulence Recovery

Mohammed Sardar, Alex Skillen, Małgorzata J. Zimoń +2

We investigate the statistical recovery of missing physics and turbulent phenomena in fluid flows using generative machine learning. Here we develop a two-stage super-resolution me…

quant-ph2023★ 181 cited

Challenges and Opportunities in Quantum Optimization

Amira Abbas, Andris Ambainis, Brandon Augustino +43

Recent advances in quantum computers are demonstrating the ability to solve problems at a scale beyond brute force classical simulation. As such, a widespread interest in quantum a…

cs.SE2023

Variational Exploration Module VEM: A Cloud-Native Optimization and Validation Tool for Geospatial Modeling and AI Workflows

Julian Kuehnert, Hiwot Tadesse, Chris Dearden +7

Geospatial observations combined with computational models have become key to understanding the physical systems of our environment and enable the design of best practices to reduc…

cs.SI2023★ 3 cited

Graph GOSPA metric: a metric to measure the discrepancy between graphs of different sizes

Jinhao Gu, Ángel F. García-Fernández, Robert E. Firth +1

This paper proposes a metric to measure the dissimilarity between graphs that may have a different number of nodes. The proposed metric extends the generalised optimal subpattern a…

physics.acc-ph2023

Transverse Emittance Reduction in Muon Beams by Ionization Cooling

The MICE Collaboration, M. Bogomilov, R. Tsenov +134

Accelerated muon beams have been considered for next-generation studies of high-energy lepton-antilepton collisions and neutrino oscillations. However, high-brightness muon beams h…

nucl-ex2023★ 10 cited

Prompt and non-prompt J production at midrapidity in PbPb collisions at = 5.02 TeV

ALICE Collaboration

The transverse momentum () and centrality dependence of the nuclear modification factor of prompt and non-prompt J, the latter originating from the weak…

astro-ph.IM2023★ 106 cited

SWIFT: A modern highly-parallel gravity and smoothed particle hydrodynamics solver for astrophysical and cosmological applications

Matthieu Schaller, Josh Borrow, Peter W. Draper +24

Numerical simulations have become one of the key tools used by theorists in all the fields of astrophysics and cosmology. The development of modern tools that target the largest ex…

astro-ph.GA2023

VarIabiLity seLection of AstrophysIcal sources iN PTF (VILLAIN) I. Structure function fits to 71 million objects

S. H. Bruun, A. Agnello, J. Hjorth

Context. Lightcurve variability is well-suited for characterising objects in surveys with high cadence and long baseline. This is especially relevant in view of the large datasets…

cond-mat.soft2023★ 5 cited

Poisson-Nernst-Planck charging dynamics of an electric double layer capacitor: symmetric and asymmetric binary electrolytes

Ivan Palaia, Adelchi J. Asta, Megh Dutta +3

A parallel plate capacitor containing an electrolytic solution is the simplest model of a supercapacitor, or electric double layer capacitor. Using both analytical and numerical te…

quant-ph2023★ 12 cited

A Quantum Computing Implementation of Nuclear-Electronic Orbital (NEO) Theory: Towards an Exact pre-Born-Oppenheimer Formulation of Molecular Quantum Systems

Arseny Kovyrshin, Mårten Skogh, Anders Broo +4

Nuclear quantum phenomena beyond the Born-Oppenheimer approximation are known to play an important role in a growing number of chemical and biological processes. While there exists…

cond-mat.mtrl-sci2023★ 13 cited

Unveiling the impact of temperature on magnon diffuse scattering detection in the transmission electron microscope

José Ángel Castellanos-Reyes, Paul Zeiger, Anders Bergman +4

Magnon diffuse scattering (MDS) signals could be studied with high spatial resolution in scanning transmission electron microscopy (STEM), thanks to recent technological progress i…

physics.chem-ph2023★ 5 cited

Charging dynamics of electric double layer nanocapacitors in mean-field

Ivan Palaia, Adelchi J. Asta, Megh Dutta +3

An electric double layer capacitor (EDLC) stores energy by modulating the spatial distribution of ions in the electrolytic solution that it contains. We determine the mean-field ti…

cond-mat.soft2023★ 4 cited

Phase behaviour of coarse-grained fluids

Vlad P Sokhan, Michael A Seaton, Ilian T Todorov

Soft condensed matter structures often challenge us with complex many-body phenomena governed by collective modes spanning wide spatial and temporal domains. In order to successful…