966 citations
- KTH Royal Institute of TechnologySE170 papers
- Uppsala UniversitySE44 papers
- Stockholm UniversitySE18 papers
- Centre National de la Recherche ScientifiqueFR17 papers
- University of PaduaIT17 papers
- AlbaNovaSE14 papers
- Örebro UniversitySE13 papers
- Delft University of TechnologyNL10 papers
- Linköping UniversitySE10 papers
- Norwegian University of Science and TechnologyNO10 papers
- Princeton UniversityUS8 papers
- Laboratoire d'Informatique pour la Mécanique et les Sciences de l'IngénieurFR7 papers
6 papers · 1 filter
Metaheuristic conditional neural network for harvesting skyrmionic metastable states
Qichen Xu, I. P. Miranda, Manuel Pereiro +8
We present a metaheuristic conditional neural-network-based method aimed at identifying physically interesting metastable states in a potential energy surface of high rugosity. To…
Genetic-tunneling driven energy optimizer for spin systems
Qichen Xu, Zhuanglin Shen, Manuel Pereiro +3
A long-standing and difficult problem in, e.g., condensed matter physics is how to find the ground state of a complex many-body system where the potential energy surface has a larg…
Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS
Szilárd Páll, Artem Zhmurov, Paul Bauer +5
The introduction of accelerator devices such as graphics processing units (GPUs) has had profound impact on molecular dynamics simulations and has enabled order-of-magnitude perfor…
A volume-of-fluid method for interface-resolved simulations of phase-changing two-fluid flows
Nicolò Scapin, Pedro Costa, Luca Brandt
We present a numerical method for interface-resolved simulations of evaporating two-fluid flows based on the volume-of-fluid (VoF) method. The method has been implemented in an eff…
Extended spin model in atomistic simulations of alloys
Fan Pan, Jonathan Chico, Anna Delin +2
An extended atomistic spin model allowing for studies of the finite temperature magnetic properties of alloys is proposed. The model is obtained by extending the Heisenberg Hamilto…
A flexible algorithm for calculating pair interactions on SIMD architectures
Szilárd Páll, Berk Hess
Calculating interactions or correlations between pairs of particles is typically the most time-consuming task in particle simulation or correlation analysis. Straightforward implem…