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2018201920201 4 3

Co-authors

Dirk ReithComputational Science and Engineering, Bonn-Rhein-Sieg University of Applied SciencesVerified email at h-brs.de
Karl N KirschnerBonn-Rhein-Sieg University of Applied SciencesVerified email at h-brs.de

Martin R. Schenk

Martin R. Schenk

Researcher, Bonn-Rhein-Sieg University of Applied Sciences

Verified email at h-brs.de - Homepage

computational chemistry molecular modelling molecular dynamics quantum chemistry


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SkaSim-Skalierbare HPC-Software für molekulare Simulationen in der chemischen Industrie J Vrabec, M Bernreuther, HJ Bungartz, WL Chen, W Cordes, R Fingerhut, ...	5	2018
SkaSim–Scalable HPC Software for Molecular Simulation in the Chemical Industry J Vrabec, M Bernreuther, HJ Bungartz, WL Chen, W Cordes, R Fingerhut, ... Chemie Ingenieur Technik 90 (3), 295-306, 2018	3	2018
Molecular Dynamics Simulation of Membrane Free Energy Profiles Using Accurate Force Field for Ionic Liquids T Köddermann, MR Schenk, M Hülsmann, A Krämer, KN Kirschner, ... Scientific Computing and Algorithms in Industrial Simulations, 265-284, 2017		2017
Kraftfeldentwicklung für molekulare Simulationen–Einfluss der Auswahl verschiedener Punktladungssätze auf potentielle Energien und ausgewählte thermodynamische Observablen MR Schenk, KN Kirschner, D Reith, S Fraunhofer, P der Hochschule		2017
Hochparallele Optimierung von Kraftfeldparametern und Berechnung thermodynamischer Eigenschaften praxisrelevanter Fluide M Hülsmann, D Reith, M Schenk		2016

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