High Performance Computing in Science and Engineering '21

Edited by Wolfgang E. Nagel (), Dietmar H. Kröner () and Michael M. Resch ()

in Springer Books from Springer

Date: 2023
ISBN: 978-3-031-17937-2
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Chapters in this book:

Ligand-induced protein stabilization and enhanced molecular dynamics sampling techniques

Timo Schäfer, Andreas C. Joerger, John Spencer, Friederike Schmid and Giovanni Settanni

Hadronic contributions to the anomalous magnetic moment of the muon from Lattice QCD

M. Cè, E.-H. Chao, A. Gérardin, J. R. Green, G. von Hippel, B. Hörz, R. J. Hudspith, H. B. Meyer, K. Miura, D. Mohler, K. Ottnad, S. Paul, A. Risch, T. San José and H. Wittig

Quantum simulators, phase transitions, resonant tunneling, and variances: A many-body perspective

A. U. J. Lode, O. E. Alon, J. Arnold, A. Bhowmik, M. Büttner, L. S. Cederbaum, B. Chatterjee, R. Chitra, S. Dutta, C. Georges, A. Hemmerich, H. Keßler, J. Klinder, C. Lévêque, R. Lin, P. Molignini, F. Schäfer, J. Schmiedmayer and M. Žonda

Molecular dynamics simulation of selective laser melting

Fabio Oelschläger, Dominic Klein, Sarah Müller and Johannes Roth

Molecular dynamics investigations on the influence of solutes on the tensile behavior of Polyamide6

Wolfgang Verestek, Johannes Kaiser, Christian Bonten and Siegfried Schmauder

Dynamical properties of the Si(553)-Au nanowire system

Mike N. Pionteck, Felix Bernhardt, Johannes Bilk, Christof Dues, Kevin Eberheim, Christa Fink, Kris Holtgrewe, Niklas Jöckel, Brendan Muscutt, Florian A. Pfeiffer, Ferdinand Ziese and Simone Sanna

Reactivity of organic molecules on semiconductor surfaces revealed by density functional theory

Fabian Pieck, Jan-Niclas Luy, Florian Kreuter, Badal Mondal and Ralf Tonner-Zech

Electro-catalysis for H2O oxidation

Travis Jones

Production of defects in two-dimensional materials under ion and electron irradiation: insights from advanced first-principles calculations Annual report on ‘Bundesprojekt’ ACID 44172 (Def-2-Dim)

S. Kretschmer, T. Joseph, S. Ghaderzadeh, Y. Wei, M. Ghorbani-Asl and A. V. Krasheninnikov

High-performance multiphase-field simulations of solid-state phase transformations using Pace3D

E. Schoof, T. Mittnacht, M. Seiz, P. Hoffrogge, H. Hierl and B. Nestler

Bridging scales with volume coupling — Scalable simulations of muscle contraction and electromyography

Benjamin Maier, David Schneider, Miriam Schulte and Benjamin Uekermann

Analysis of the hot gas ingress into the wheel space of an axial turbine stage

Jannik Borgelt, Thomas Hösgen, Matthias Meinke and Wolfgang Schröder

Direct numerical simulation of bypass transition under free-stream turbulence for compressible flows

Duncan Ohno, Björn Selent, Markus J. Kloker and Ulrich Rist

Direct numerical simulation of a disintegrating liquid rivulet at a trailing edge

Adrian Schlottke, Matthias Ibach, Jonas Steigerwald and Bernhard Weigand

Numerical Investigation of the Flow and Heat Transfer in Convergent Swirl Chambers

Florian Seibold and Bernhard Weigand

On the validity of the linear Boussinesq hypothesis for selected internal cooling features of gas turbine blades

Philipp Wellinger and Bernhard Weigand

Development of turbulent inflow methods for the high order HPC framework FLEXI

Daniel Kempf, Min Gao, Andrea Beck, Marcel Blind, Patrick Kopper, Thomas Kuhn, Marius Kurz, Anna Schwarz and Claus-Dieter Munz

A narrow band-based dynamic load balancing scheme for the level-set ghost-fluid method

Daniel Appel, Steven Jöns, Jens Keim, Christoph Müller, Jonas Zeifang and Claus-Dieter Munz

Numerical simulation of flake orientation during droplet impact on substrates in spray painting processes

Qiaoyan Ye, Martin Dreher and Bo Shen

A low-pass filter for linear forcing in the open-source code OpenFOAM – Implementation and numerical performance

Jordan A. Denev, Thorsten Zirwes, Feichi Zhang and Henning Bockhorn

Numerical simulation of vortex induced pressure fluctuations in the runner of a Francis turbine at deep part load conditions

Jonas Wack, Marco Zorn and Stefan Riedelbauch

Validation of ACD and ACL propeller simulation using blade element method based on airfoil characteristics

Michael Schollenberger, Mário Firnhaber Beckers and Thorsten Lutz

The HPC project GLOMIR+ (GLObal MUSICA IASI Retrievals - plus)

Matthias Schneider, Benjamin Ertl, Christopher Diekmann and Farahnaz Khosrawi

Global long-term MIPAS data processing

Michael Kiefer, Bernd Funke, Maya García-Comas, Udo Grabowski, Andrea Linden, Axel Murk and Gerald E. Nedoluha

WRF simulations to investigate processes across scales (WRFSCALE)

Hans-Stefan Bauer, Thomas Schwitalla, Oliver Branch and Rohith Thundathil

Dynamic molecular dynamics ensembles for multiscale simulation coupling

Philipp Neumann, Niklas Wittmer, Vahid Jafari, Steffen Seckler and Matthias Heinen

Scalable discrete algorithms for big data applications

Demian Hespe, Lukas Hübner, Lorenz Hübschle-Schneider, Peter Sanders and Dominik Schreiber

Large scale simulations of partial differential equation models on the Hawk supercomputer

Ruben Buijse, Martin Parnet and Arne Nägel

Scaling in the context of molecular dynamics simulations with ms2 and ls1 mardyn

Simon Homes, Robin Fingerhut, Gabriela Guevara-Carrion, Matthias Heinen and Jadran Vrabec

Scalable multigrid algorithm for fluid dynamic shape optimization

Jose Pinzon, Martin Siebenborn and Andreas Vogel

Numerical calculation of the lean-blow-out in a multi-jet burner

Alexander Schwagerus, Peter Habisreuther and Nikolaos Zarzalis

Data-driven multiscale modeling of self-assembly and hierarchical structural formation in biological macro-molecular systems

P. N. Depta, M. Dosta and S. Heinrich

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DOI: 10.1007/978-3-031-17937-2

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