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Publications of the SimLab Molecular Systems

Recent 10 publications | complete publication list

Recent 10 publications of the SimLab Molecular Systems

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Magnetic structures, spin-flop transition, and coupling of Eu and Mn magnetism in the Dirac semimetal EuMnBi$_2$
Physical review research 2(4), 043100 () [10.1103/PhysRevResearch.2.043100] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Kokkos implementation of an Ewald Coulomb solver and analysis of performance portability
Journal of parallel and distributed computing 138, 48 - 54 () [10.1016/j.jpdc.2019.12.003] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Examining Performance Portability with Kokkos for an Ewald Sum Coulomb Solver
Parallel Processing and Applied Mathematics, PPAM19, BialystokBialystok, Poland, 8 Sep 2019 - 11 Sep 20192019-09-082019-09-11 Cham : Springer, Lecture Notes in Computer Science 12044, 35-45 () [10.1007/978-3-030-43222-5_4] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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A Consistent Boundary Method for the Material Point Method - Using Image Particles to Reduce Boundary Artefacts
VI International Conference on Particle Based Methods: Fundamentals and Applications, BarcelonaBarcelona, Spain, 28 Oct 2019 - 30 Oct 20192019-10-282019-10-30 Barcelona, Spain : International Centre for Numerical Methods in Engineering (CIMNE) 522 - 531 ()   Download fulltextFulltext BibTeX | EndNote: XML, Text | RIS

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Multi-Level Load Balancing for Parallel Particle Simulations
VI International Conference on Particle-based Methods–Fundamentals and Applications, BarcelonaBarcelona, Spain, 28 Oct 2019 - 30 Oct 20192019-10-282019-10-30 Barcelona, Spain : International Centre for Numerical Methods in Engineering (CIMNE) 80 - 92 ()   Download fulltextFulltext BibTeX | EndNote: XML, Text | RIS

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Optimized parallel simulations of analytic bond-order potentials on hybrid shared/distributed memory with MPI and OpenMP
The international journal of high performance computing applications 32(2), 227 - 241 () [10.1177/1094342017727060]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Spontaneous Fluctuations in Mesoscopic Simulations of Nematic Liquid Crystals
Fluctuation and noise letters 18(3), 1950011 () [10.1142/S0219477519500111]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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MC/MD Coupling for Scale Bridging Simulations of Solute Segregation in Solids: An Application Study
Berlin : Springer, Communications in computer and information science 889, 112-127 () [10.1007/978-3-319-96271-9_7]  Download fulltext Files BibTeX | EndNote: XML, Text | RIS

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Parallelization comparison and optimization of a scale-bridging framework to model Cottrell atmospheres
Computational materials science 155, 439 - 449 () [10.1016/j.commatsci.2018.08.055] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

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Benchmarking Molecular Dynamics with OpenCL on Many-Core Architectures
Parallel Processing and Applied Mathematics / Wyrzykowski, Roman (Editor) [0000-0003-1724-1786] ; Cham : Springer International Publishing, 2018, Chapter 23 ; ISSN: 0302-9743=1611-3349 ; ISBN: 978-3-319-78053-5=978-3-319-78054-2 ; doi:10.1007/978-3-319-78054-2
12th International Conference on Parallel Processing and Applied Mathematics, PPAM 2017, LublinLublin, Poland, 10 Sep 2017 - 13 Sep 20172017-09-102017-09-13
Cham : Springer International Publishing, Lecture Notes in Computer Science 10778, 244 - 253 () [10.1007/978-3-319-78054-2_23] OpenAccess  Download fulltext Files  Download fulltextFulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS