{"id":1213,"date":"2023-01-10T13:59:19","date_gmt":"2023-01-10T12:59:19","guid":{"rendered":"https:\/\/www.hsu-hh.de\/hpc\/?page_id=1213"},"modified":"2025-06-02T19:46:24","modified_gmt":"2025-06-02T17:46:24","slug":"mast-publications-results","status":"publish","type":"page","link":"https:\/\/www.hsu-hh.de\/hpc\/mast-publications-results\/","title":{"rendered":"MaST: Publications & Results"},"content":{"rendered":"\n

Publications<\/h2>\n\n\n\n

M. Son, A. Doehring, M. Klein, L. Zigan, M. Pfitzner, T. Sander. Experimental and Numerical Investigation of Cyclopentane Sprays in Transcritical Environment. Atomization and Sprays 35(4), 1-29, 2025<\/a><\/p>\n\n\n\n

A. Doehring, T. Trummler, M. Pfitzner, M. Klein. Two-dimensional direct numerical simulation study of multicomponent mixing with phase transition in a transcritical shear layer. Physics of Fluids 36, 065141, 2024<\/a><\/p>\n\n\n\n

R. Stierle, G. Bauer, N. Thiele, B. Bursik, P. Rehner, J. Gross. Classical density functional theory in three dimensions with GPU-accelerated automatic differentiation: Computational performance analysis using the example of adsorption in covalent-organic frameworks. Chemical Engineering Science 298, 120380, 2024<\/a><\/p>\n\n\n\n

B. Bursik, R. Stierle, A. Schlaich, P. Rehner, J. Gross. Viscosities of inhomogeneous systems from generalized entropy scaling. Physics of Fluids 36, 042007, 2024<\/a><\/p>\n\n\n\n

S. Homes, J. Vrabec. Resistivities across the vapor-liquid interface of a simple fluid: An assessment of methods. Physics of Fluids 36, 022122, 2024<\/a><\/p>\n\n\n\n

A. Das Sharma, R. Horn, P. Neumann. The Error-Energy Tradeoff in Molecular and Molecular-Continuum Fluid Simulations. HPC Asia 2024 (workshop MMCP), pp. 111-121, 2024<\/a><\/p>\n\n\n\n

C. Steinhausen, V. Gerber, R. Stierle, A. Preusche, A. Dreizler, J. Gross, B. Weigand, G. Lamanna. Characterisation of the transient mixing behaviour of evaporating near-critical droplets. Frontiers in Physics 11, 1192416, 2023<\/a><\/p>\n\n\n\n

L. Viot, Y. Piel, P. Neumann. From Desktop to Supercomputer: Computational Fluid Dynamics Augmented by Molecular Dynamics using MaMiCo and preCICE. ISC HPC Workshop Proceedings 2023, pp. 567-576, 2023<\/a><\/p>\n\n\n\n

T. Jeyaseelan, M. Son, T. Sander, L. Zigan. Experimental and Modeling Analysis of the Transient Spray Characteristics of Cyclopentane at Sub- and Transcritical Conditions using a Machine Learning Approach. Physics of Fluids 35, 083119, 2023<\/a><\/p>\n\n\n\n

P. Jarmatz, S. Lerdo, P. Neumann. Convolutional Recurrent Autoencoder for Molecular-Continuum Coupling. ICCS 2023 proceedings, pp. 535-549, 2023<\/a><\/p>\n\n\n\n

S. Homes, M. Heinen, J. Vrabec. Influence of molecular anisotropy and quadrupolar moment on evaporation. Physics of Fluids 35, 05211, 2023<\/a><\/p>\n\n\n\n

S.J. Newcome, F.A. Gratl, P. Neumann, H.-J. Bungartz. Towards Auto-tuning Multi-Site Molecular Dynamics Simulations with AutoPas. Journal of Computational and Applied Mathematics 433, 115278, 2023<\/a><\/p>\n\n\n\n

A. Begemann, T. Trummler, A. Doehring, M. Pfitzner, M. Klein. Assessment of the Thermodynamic and Numerical Modeling of LES of Multi-Component Jet Mixing at High Pressure. Energies 16, 2113, 2023<\/a><\/p>\n\n\n\n

V. Jafari, P. Neumann. Fault Tolerance for Ensemble-based Molecular-Continuum Flow Simulations. HPC Asia 2023 proceedings, pp.35-45, 2023<\/a><\/p>\n\n\n\n

P. Neumann, A. Das Sharma, L. Viot, T. Trummler, A. Doehring, M. Son, T. Sander, M. Pfitzner, L. Zigan, M. Klein, F. Gratl, S. Newcome, H.-J. Bungartz, I. Nitzke, S. Homes, J. Vrabec, R. Stierle, J. Gross, A. Auweter, N. Tippmann. MaST: Scale-Bridging Exploration of Transcritical Fluid Systems. dtec.bw-Beitr\u00e4ge der Helmut-Schmidt-Universit\u00e4t \/ Universit\u00e4t der Bundeswehr Hamburg: Forschungsaktivit\u00e4ten im Zentrum f\u00fcr Digitalisierungs- und Technologieforschung der Bundeswehr, pp. 101-106, 2022<\/a><\/p>\n\n\n\n

P. Jarmatz, H. Wittenberg, V. Jafari, A. Das Sharma, F. Maurer, N. Wittmer, P. Neumann. MaMiCo 2.0: An enhanced open-source framework for high-performance molecular-continuum flow simulation. SoftwareX 20, 101251, 2022<\/a><\/p>\n\n\n\n

T. Trummler, M. Glatzle, A. Doehring, N. Urban, M. Klein. Thermodynamic modeling for numerical simulations based on the generalized cubic equation of state. Physics of Fluids 34(11), 116126, 2022<\/a><\/p>\n\n\n\n

P. Jarmatz, F. Maurer, H. Wittenberg, P. Neumann. MaMiCo: Non-local means and POD filtering with flexible data-flow for two-way coupled molecular-continuum HPC flow simulation. Journal of Computational Science 61, 101617, 2022<\/a><\/p>\n\n\n\n

V. Jafari, N. Wittmer, P. Neumann. Massively Parallel Molecular-Continuum Flow Simulation with Error Controland Dynamic Ensemble Handling. HPC Asia 2022 proceedings, pp. 52-60, 2022<\/a><\/p>\n\n\n\n

P. Jarmatz, F. Maurer, P. Neumann. MaMiCo: Non-Local Means Filteringwith Flexible Data-Flow for Coupling MD and CFD. Lecture Notes in Computer Science 12746 (ICCS 2021 proceedings), pp. 576-589, 2021<\/a><\/p>\n\n\n\n

H. Wittenberg, P. Neumann. Transient Two-Way Molecular-Continuum Coupling with OpenFOAM and MaMiCo: A Sensitivity Study. Computation 9(12), 128, 2021<\/a><\/p>\n\n\n\n

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MaST is funded by dtec.bw – Digitalization and Technology Research Center of the Bundeswehr. dtec.bw is funded by the European Union – NextGenerationEU.<\/p>\n<\/div>\n\n\n\n

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back to MasT overview<\/a><\/strong><\/p>\n","protected":false},"excerpt":{"rendered":"

Publications M. Son, A. Doehring, M. Klein, L. Zigan, M. Pfitzner, T. Sander. Experimental and Numerical Investigation of Cyclopentane Sprays in Transcritical Environment. Atomization and Sprays 35(4), 1-29, 2025 A. […]<\/p>\n","protected":false},"author":2223,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[4],"tags":[],"class_list":["post-1213","page","type-page","status-publish","hentry","category-forschung"],"_links":{"self":[{"href":"https:\/\/www.hsu-hh.de\/hpc\/wp-json\/wp\/v2\/pages\/1213","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.hsu-hh.de\/hpc\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.hsu-hh.de\/hpc\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.hsu-hh.de\/hpc\/wp-json\/wp\/v2\/users\/2223"}],"replies":[{"embeddable":true,"href":"https:\/\/www.hsu-hh.de\/hpc\/wp-json\/wp\/v2\/comments?post=1213"}],"version-history":[{"count":21,"href":"https:\/\/www.hsu-hh.de\/hpc\/wp-json\/wp\/v2\/pages\/1213\/revisions"}],"predecessor-version":[{"id":1655,"href":"https:\/\/www.hsu-hh.de\/hpc\/wp-json\/wp\/v2\/pages\/1213\/revisions\/1655"}],"wp:attachment":[{"href":"https:\/\/www.hsu-hh.de\/hpc\/wp-json\/wp\/v2\/media?parent=1213"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.hsu-hh.de\/hpc\/wp-json\/wp\/v2\/categories?post=1213"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.hsu-hh.de\/hpc\/wp-json\/wp\/v2\/tags?post=1213"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}