Publication list


In the following list you can find the publications that have been created as part of SWZ projects. Further data, source codes, etc. about the publications and projects can be found on the Open data page.


  • S. Hampel, I. A. Alhafez, T. Schirmer, N. Merkert, S. Wunderlich, A. Schnickmann, H. Li, M. Fischlschweiger, U. E. A. Fittschen. Engineering Compounds for the Recovery of Critical Elements from Slags: Melt Characteristics of Li5AlO4, LiAlO2, and LiAl5O8. ACS Omega, DOI: 10.1021/acsomega. 4c00723, 2024.
  • U. E. A. Fittschen, S. Hampel, T. Schirmer, N. Merkert. Multimodal spectroscopy and molecular dynamic simulations to understand redox-chemistry and compound formation in pyrometallurgical slags: example of manganese oxidation state with respect to lithium recycling. Appl. Spectrosc. Rev., DOI: 10.1080/05704928.2024.2350988, 2024.
  • I. A. Alhafez, O. R. Deluigi, D. Tramontina, N. Merkert, H. M. Urbassek, E. M. Bringa. Nanoindentation into a bcc high-entropy HfNbTaTiZr alloy – an atomistic study of the effect of short-range order. Sci. Rep. 14:9112, 2024.
  • D. Thürmer, H.-T. Luu, N. Merkert. Molecular dynamics simulation of shock waves in Fe and Fe–C: Influence of system characteristics. J. Appl. Phys. 135:155901, 2024
  • A. Herzog: A Discrete Process Modelling Study of ARGESIM Benchmark ’C2 – Flexible Assembly System’ with Warteschlangensimulator. In: Simulation Notes Europe 34(1), 2024, 23-28.
  • A. Herzog: A Discrete Process Modelling Study of ARGESIM Comparison ’C22 – Non-standard Queuing Policies’ with Warteschlangensimulator. In: Simulation Notes Europe 34(1), 2024, 29-34.



  • I. A.Alhafez,  O.R. Deluigi, D. Tramontina, C. J. Ruestes, E. M. Bringa, H. M. Urbassek. Simulated nanoindentation into single-phase fcc FexNi1-x alloys predicts maximum hardness for equiatomic stoichiometry. Sci Rep. 13(1):9806, 2023.
  • L. Hahn, S. A. Blaue, P. Höhn, N. Merkert, P. Klein. Open Educational Resources für den Hochschulbereich. In PhyDid B, Didaktik der Physik, Beiträge zur virtuellen DPG-Frühjahrstagung. Ed: H. Grötzebauch, S. Heinicke, 2023
  • A. Demirci, D. Steinberger, M. Stricker, N. Merkert, D. Weygand und S. Sandfeld. Statistical analysis of discrete dislocation dynamics simulations: initial structures, cross-slip and microstructure evolutions. MSMSE 31:075003, 2023
  • S. Raumel, K. Barienti, H.-T. Luu, N. Merkert, F. Dencker, F. Nürnberger, H.J. Maier, M. C. Wurz. Characterization of the tribologically relevant cover layers formed on copper in oxygen and oxygen-free conditions. Friction,  DOI: 10.1007/s40544-022-0695-5, 2023.
  • I. Alabd Alhafez, M. Kopnarski, H.M. Urbassek. Multiple Scratching: An Atomistic Study. Tribol Lett 71: 46, 2023.
  • I. Alabd Alhafez, M. Kopnarski, H. M. Urbassek. Scratching a soft layer above a hard substrate. Philosophical Magazine,, 2023.
  • G.S. Dutta, D. Meiners, N. Merkert. A Study of Free-Form Shape Rationalization Using Biomimicry as Inspiration. Polymers 15:2466, 2023.


  • S. Homann, H.-T. Luu und N. Merkert. Molecular dynamics simulations of the machining of oxidized and deoxidized titanium work pieces. Results Surf. Interfaces 9:100085, 2022.
  • H.-T. Luu, S. Raumel, F. Dencker, M. Wurz und N. Merkert. Nanoindentation in alumina coated Al: Molecular dynamics simulations and experiments. Surf. Coat. Tech. 437:128342, 2022.
  • D. Thürmer, N. Gunkelmann. Shock-induced spallation in a nanocrystalline high-entropy alloy: An atomistic study. J. Appl. Phys. 131:065902, 2022.
  • D. Thürmer, S. Zhao, O. R. Deluigi, C. Stan, I. A. Alhafez, H. M. Urbassek, M. A. Meyers, E. M.Bringa, N. Gunkelmann. Exceptionally high spallation strength for a high-entropy alloy demonstrated by experiments and simulations. J. Alloys Compd. 895:162567, 2022.


  • A. Herzog, J. Necil, M. Pollet, H. Busch. Methoden und Konzepte des Digitalen Logistikzwillings der AG der Dillinger Hüttenwerke (Dillinger). In: Simulation in Produktion und Logistik 2021. Cuvillier Verlag, 2021, 157-166.
  • A. Plack, M. Bierwirth, A.P. Weber und N. Gunkelmann. Experimental and atomistic study of high speed collisions of gold nanoparticles with a gold substrate: Validation of interatomic potentials. J Aerosol Sci. 159:105846, 2021.
  • A. Herzog: Simulation mit dem Warteschlangensimulator, Mathematische Modellierung und Simulation von Produktions- und Logistikprozessen, Springer, 2021.
  • H.-T. Luu, S.-L. Dang, T.-V. Hoang und N. Gunkelmann. Molecular dynamics simulation of nanoindentation in Al and Fe: On the influence of system characteristics. Appl. Surf. Science 551:149221, 2021.
  • H. Song, N. Gunkelmann, G. Po und S. Sandfeld. Data-mining of dislocation microstructures: concepts for coarse-graining of internal energies. MSMSE 29:035005, 2021.
  • Hartmann, S., Gilbert, R. R., Kheiri Marghzar, A., Leistner, C., Dileep, P. K.: Parameter identification of unidirectional fiber-reinforced composites, Archive of Applied Mechanics, 91(2): 687-712, 2021.
  • Hartmann, S.: The Method of Vertical Lines in Non-Linear Finite Elements, Plenary Lecture at the GAMM Annual Meeting, Kassel, 16.3.2021 (60min movie).
  • Hartmann, S., Gilbert, R. R.: Material parameter identification using a least-square method applied to finite elements and experimental full-field information, published online Computational Mechanics 85, 2021.
  • S. Gopalakrishna, A. Langhoff, G. Brenner, und D. Johannsmann: Soft Viscoelastic Particles in Contact with a Quartz Crystal Microbalance (QCM): A Frequency-Domain Lattice Boltzmann Simulation, Analytical Chemistry, 2021.
  • J. Erbel, A. Trautsch und J. Grabowski: Simulating live cloud adaptations prior to a production deployment using a models at runtime approach, Proceedings of the 11th International Conference on Simulation and Modeling Methodologies, Technologies and Applications (SIMULTECH 2021), 2021.
  • S. Challita, F. Korte, J. Erbel, F. Zalila, J. Grabowski und Philippe Merle: Model-based cloud resource management with TOSCA and OCCI , Software and Systems Modeling, 2021.
  • D. Honsel, V. Herbold, S. Waack und J. Grabowski: Investigation and prediction of open source software evolution using automated parameter mining for agent-based simulation, Automated Software Engineering Journal, 2021.
  • K. C. Le, S. L. Dang, H.-T. Luu und N Gunkelmann. Thermodynamic dislocation theory: Application to bcc-crystals. MSMSE 29(1): 015003, 2021, DOI: 10.1088/1361-651X/abcb4e.


  • H.-T. Luu, R. J. Ravelo, M. Rudolph, E. M. Bringa, T. C. Germann, D. Rafaja und N. Gunkelmann, Shock-induced plasticity in nanocrystalline iron:
  • Large-scale molecular dynamics simulations, Phys. Rev. B 102, 020102(R), 2020.
  • Y. Rosandi, H.-T. Luu, H. M. Urbassek und N. Gunkelmann, Molecular Dynamics Simulations of the Mechanical Behavior of Alumina Coated Aluminum Nanowires under Tension and Compression, RSC Advances,  10, 1435, 2020.
  • N. Gunkelmann und M. Merkert,  Improved energy minimization of iron carbon systems: On the influence of positioning interstitial atoms, MSMSE 28(4) , 045005, 2020.
  • H.-J. Stromberg, N. Gunkelmann und A. Lohrengel In: Simulation Science, Second International Workshop, SimScience 2019: Communications in Computer and Information Science (CCIS), 1199, 153. Springer, Cham, 2020.
  • S. Hartmann, A. Kheiri Marghzar, R. R. Gilbert, W. Pangboonyanon und D. Meiners: Experiment, modeling and simulation of bypassing holes in composites, Composite Structures 234: 111666, 2020, 1-16.
  • M. Harhash, R. R. Gilbert, S. Hartmann, H. Palkowski: Experimental characterization, analytical and numerical investigations of metal/polymer/metal sandwich composites – Part 2: Free bending, Composite Structures 232:111421, 2020, 1-15.
  • Leistner, C., Hartmann, S., Abliz, D., Ziegmann, G.: Modeling and simulation of the curing process of epoxy resins using finite elements, Continuum Mechanics and Thermodynamics 32, 327–350, 2020.
  • J. Huchtkoetter und A. Reinhardt: On the Impact of Temporal Data Resolution on the Accuracy of Non-Intrusive Load Monitoring, Proceedings of the 7th ACM International Conference on Systems for Energy-Efficient Buildings, Cities, and Transportation (Buildsys), 2020, 270-273.
  • F. Merz, C. Schwindt, S. Westphal und J. Zimmermann: A Multi-Round Auction for Staff to Job Assignment Under Myopic Best Response Dynamics. IEEE International Conference on Industrial Engineering and Engineering Management (IEEM), 2020.


  • H.-T. Luu und N. Gunkelmann, Pressure-induced phase transformations in Fe-C: Molecular dynamics approach, Comput. Mater. Sci., 162, 295-303, 2019.
  • N. Gunkelmann, D. Serero, A. Glielmo, M. Montaine, M. Heckel und T. Pöschel, Stochastic Nature of Particle Collisions and its Impact on Granular Material Pro- perties. In Particles in Contact - Micro Mechanics, Micro Process Dynamics and Par- ticle Collective. Ed: S. Antonyuk, Springer International Publishing, 2019.
  • H.-T. Luu, R. G. A. Veiga und N. Gunkelmann, Atomistic Study of the Role of Defects on α --> ε Phase Transformations in Iron under Hydrostatic Compression, Metals 9(10):1040, 2019
  • Gilbert, R. R., Grafenhorst, M., Hartmann, St., Yosibash, Z.: Simulating the temporal change of the active response of arteries by finite elements with high-order time-integrators. Computational Mechanics 64(6), 1669-1684, 2019.
  • Grafenhorst, M., Hartmann, S.: Time-adaptive computations for the mortar finite element method, PAMM Proceedings of Applied Mathetmatics and Mechanics 19, 2019, e201900019, 1-2.
  • J. Huchtkoetter und A. Reinhardt: A Study on the Impact of Data Sampling Rates on Load Signature Event Detection, Energy Informatics, 24, 2019.
  • J. Beecken und A. Reinhardt: How Smooth is my Ride? Detecting Bikeway Conditions from Smartphone Video Streams, Proceedings of the 6th International Workshop on Crowd Assisted Sensing, Pervasive Systems and Communications (CASPer), 65-70, 2019.
  • J. Erbel, T. Brand, H. Giese und J. Grabowski: OCCI-compliant, fully causal-connected architecture runtime models supporting sensor management, Proceedings of the 14th Symposium on Software Engineering for Adaptive and Self-Managing Systems (SEAMS 2019), 2019.
  • J. Erbel, S. Wittek, J. Grabowski und A. Rausch: Dynamic Management of Multi-Level-Simulation Workflows in the Cloud, Proceedings of the 2nd International Workshop on Simulation Science (SimScience 2019), Springer, Cham, 2019.
  • D. Honsel: Development of Agent-Based Simulation Models for Software Evolution, Promotionen Universität Göttingen, 2019.
  • V. Herbold: Mining Developer Dynamics for Agent-Based Simulation of Software Evolution, Promotionen Universität Göttingen, 2019.


  • N. Gunkelmann, E. M. Bringa und Y. Rosandi, Molecular Dynamics Simulations of Aluminium Foams under Tension: Influence of Oxidation, J. Phys. Chem. C 122, 26243, 2018.
  • J.  Erbel, F. Korte und J. Grabowski: Scheduling Architectures for Scientific Workflows in the Cloud (Position Paper), Proceedings of the 10th System Analysis and Modelling Conference (SAM 2018), 2018.
  • J. Erbel, F. Korte und J. Grabowski: Comparison and Runtime Adaptation of Cloud Application Topologies based on OCCI, Proceedings of the 8th International Conference on Cloud Computing and Services Science (CLOSER 2018), 2018.
  • F. Korte, S. Challita, F. Zalila, P. Merle und J. Grabowski: Model-Driven Configuration Management of Cloud Applications with OCCI, Proceedings of the 8th International Conference on Cloud Computing and Services Science (CLOSER 2018), 2018.


  • A. Herzog: Callcenter – Analyse und Management, Modellierung und Optimierung mit Warteschlangensystemen, Springer/Gabler, Wiesbaden, 2017.
  • P. Ivanovic, H. Richter, Performance Analysis of ivshmem for High-Performance Computing in Virtual Machines, Proc. 2nd International Conference on Virtualization Application and Technology (ICVAT 2017), Shenzhen, China, Nov. 17-19, 2017.
  • J. Erbel: Declarative Cloud Resource Provisioning Using OCCI Models, INFORMATIK 2017, 2017.
  • X. Wang, F. Korte, S. Herbold und J. Grabowski: On the Relatively Small Impact of Deep Dependencies on Cloud Application Reliability, Proceedings of the 10th IEEE International Conference on Cloud Computing, 2017.
  • F. Korte, J. Erbel und J. Grabowski: Model Driven Cloud Orchestration by Combining TOSCA and OCCI (Position Paper), Proceedings of the 7th International Conference on Cloud Computing and Services Science (CLOSER 2017), 2017.
  • F. Korte, A. Bufe, C. Köhler, G. Brenner, J. Grabowski und P. Wieder: Transparent Model-Driven Provisioning of Computing Resources for Numerically Intensive Simulations, Simulation Science, Springer, Cham, 2017.


  • V. Honsel, S. Herbold and Jens Grabowski. Learning from Software Project Histories: Predictive Studies Based on Mining Software Repositories, European Conference on Machine Learning and Principles and Practice of Knowledge Discovery (ECML-PKDD)  2016 - NEKTAR Track.
  • D. Honsel, V. Honsel, M. Welter, S. Waack and Jens Grabowski. Monitoring Software Quality by Means of Simulation Methods, 10th International Symposium on Empirical Software Engineering and Measurement (ESEM), 2016.
  • V. Honsel, S. Herbold and Jens Grabowski. Hidden Markov Models for the Prediction of Developer Involvement Dynamics and Workload, 12th International Conference on Predictive Models and Data Analytics in Software Engineering (PROMISE 2016).
  • S. Wittek, M. Göttsche, A. Rausch und J. Grabowski: Towards Multi-Level-Simulation using Dynamic Cloud Environments, Proceedings of the 6th International Conference on Simulation and Modeling Methodologies, Technologies and Applications, SIMULTECH 2016 - 6th International Conference on Simulation and Modeling Methodologies, Technologies and Applications, 2016.


  • V. Honsel, D. Honsel, J. Grabowski and Stephan Waack. Developer Oriented and Quality Assurance Based Simulation of Software Processes, Proceedings of the Seminar Series on Advanced Techniques & Tools for Software Evolution (SATToSE) 2015.
  • V. Honsel, Statistical Learning and Software Mining for Agent Based Simulation of Software Evolution, Doctoral Symposium at the 37th International Conference on Software Engineering (ICSE 2015), Florence, Italy.
  • V. Honsel, D. Honsel, S. Herbold, J. Grabowski and S. Waack; Mining Software Dependency Networks for Agent-Based Simulation of Software Evolution, The 4th International Workshop on Software Mining, 2015.
  • H. Richter, About the Suitability of Clouds in High-Performance Computing, to be published in Proc. ISC Cloud&Big Data, Sept. 28–30, Frankfurt, Germany, 2015.
  • T. Ahlbrecht, J. Dix and F. Schlesinger. From Testing Agent Systems to a Scalable Simulation Platform. In T. Eiter et al. (Eds.): Brewka Festschrift, LNAI 9060, pp. 47-62. Springer International Publishing Switzerland, 2015.
  • H. Richter and A. Keidel and R. Ledyayev, Über die Eignung von Clouds für das Hochleistungsrechnen (HPC), in IfI Technical Report Series ISSN 1860-8477, IfI-15-03, editor: Department of Computer Science, Clausthal University of Technology, Germany, 2015.
  • F. Korte, J. N. Serrano, J. Grabowski und A. Quadt: ATLAS user analysis on private cloud resources at GoeGrid, Journal of Physics: Conference Series, Journal of Physics: Conference Series, Proceedings of the 21st Conference on Computing in High Energy Physics and Nuclear Physics (CHEP), 2015.
  • M. Göttsche, F. Korte, S. Herbold und J. Grabowski: Automated Deployment and Parallel Execution of Legacy Applications in Cloud Environments, The 8th IEEE International Conference on Service Oriented Computing & Applications, The 8th IEEE International Conference on Service Oriented Computing & Applications, 2015.



Post-Proceedings of Clausthal-Göttingen International Workshop on Simulation Science