output
20062025
most citedGPAW: An open Python package for electronic-structure calculations

275 citations

16 papers

quant-ph2025★ 4 cited

The Role of Quantum Computing in Advancing Scientific High-Performance Computing: A perspective from the ADAC Institute

Gilles Buchs, Thomas Beck, Ryan Bennink +19

Quantum computing (QC) has gained significant attention over the past two decades due to its potential for speeding up classically demanding tasks. This transition from an academic…

quant-ph2025★ 2 cited

Parameter optimization for the unimon qubit

Rostislav Duda, Eric Hyyppä, Olli Mukkula +2

Inductively shunted superconducting qubits, such as the unimon qubit, combine high anharmonicity with protection from low-frequency charge noise, positioning them as promising cand…

physics.chem-ph2025★ 8 cited

Density functional benchmark for quadruple hydrogen bonds

Usman Ahmed, Mikael P. Johansson, Susi Lehtola +1

Hydrogen bonding is an important non-covalent interaction that plays a major role in molecular self-organization and supramolecular structures. It can be described accurately with…

cond-mat.mtrl-sci2025

Four regimes of primary radiation damage in tungsten

Jesper Byggmästar, Ville-Markus Yli-Suutala, Aslak Fellman +3

We observe for the first time in silico the transition to a linear regime in the primary damage production in tungsten. As the critical plasma-facing material in fusion reactors, r…

cond-mat.mtrl-sci2024★ 6 cited

Ehrenfest dynamics with localized atomic-orbital basis sets within the projector augmented-wave method

Vladimír Zobač, Mikael Kuisma, Ask Hjorth Larsen +2

Density functional theory with linear combination of atomic orbitals (LCAO) basis sets is useful for studying large atomic systems, especially when it comes to computationally high…

cs.DC2024★ 3 cited

Stencil Computations on AMD and Nvidia Graphics Processors: Performance and Tuning Strategies

Johannes Pekkilä, Oskar Lappi, Fredrik Robertsén +1

Over the last ten years, graphics processors have become the de facto accelerator for data-parallel tasks in various branches of high-performance computing, including machine learn…