Publications
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
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
B. Bursik, R. Stierle, A. Schlaich, P. Rehner, J. Gross. Viscosities of inhomogeneous systems from generalized entropy scaling. Physics of Fluids 36, 042007, 2024
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. 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
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
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
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
P. Jarmatz, S. Lerdo, P. Neumann. Convolutional Recurrent Autoencoder for Molecular-Continuum Coupling. ICCS 2023 proceedings, pp. 535-549, 2023
S. Homes, M. Heinen, J. Vrabec. Influence of molecular anisotropy and quadrupolar moment on evaporation. Physics of Fluids 35, 05211, 2023
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. 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
V. Jafari, P. Neumann. Fault Tolerance for Ensemble-based Molecular-Continuum Flow Simulations. HPC Asia 2023 proceedings, pp.35-45, 2023
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-Beiträge der Helmut-Schmidt-Universität / Universität der Bundeswehr Hamburg: Forschungsaktivitäten im Zentrum für Digitalisierungs- und Technologieforschung der Bundeswehr, pp. 101-106, 2022
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
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
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
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
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
H. Wittenberg, P. Neumann. Transient Two-Way Molecular-Continuum Coupling with OpenFOAM and MaMiCo: A Sensitivity Study. Computation 9(12), 128, 2021
MaST is funded by dtec.bw – Digitalization and Technology Research Center of the Bundeswehr. dtec.bw is funded by the European Union – NextGenerationEU.
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HSU
Letzte Änderung: 29. November 2024
