Dr. Marco Hülsmann

Lehrkraft für besondere Aufgaben (Dozent für Mathematik für die Informatik)

Forschungsgebiet

Molekulare Simulationen, Numerische Optimierung, Maschinelles Lernen

Kontakt

Portrait Marco Hülsmann
E-Mail: 
marco.Huelsmann [at] h-brs.de

Sankt Augustin

Grantham-Allee 20
53757
Sankt Augustin
Raum: 
C 180 / B 112
Sprechstunden: 
Dienstag
16 Uhr

Profil

Lehrveranstaltungen:

  • Lineare Algebra (Teil des Moduls "Einführung in Diskrete Mathematik und Lineare Algebra", 1. Sem. BSc)
  • Einführung in die Analysis (2. Sem. BSc)
  • Numerische Verfahren zur Datenanalyse (4. Sem. BSc)
  • Numerische Verfahren zur Simulation (5. Sem. BSc)
  • Nichtlineare Optimierung (5. Sem. BSc)
  • Numerische Mathematik 1 (1. Sem. MSc)
  • Numerische Mathematik 2 (2. Sem. MSc)

Studium und Werdegang:

  • Diplom in Mathematik an der Universität zu Köln (2001-2007)
  • Promotion im Fach Angewandte Mathematik an der Universität zu Köln (2008-2012)
  • Tätigkeit als wiss. Mitarbeiter am Fraunhofer Institut für Algorithmen und wissenschaftliches Rechnen (SCAI), Sankt Augustin (2008-2014)
  • Tätigkeit als wiss. Mitarbeiter und Dozent für Mathematik an der Hochschule Bonn-Rhein-Sieg, Sankt Augustin (seit 2014)

 

Publikationen

Hülsmann, M., Klaassen, B., Krämer, A., Krämer-Fuhrmann, O., Pangalela, T., Reith, D., Hack, K., Linden, J.: Calculation of Chemical Equilibria in Multi-Phase: Multicomponent Systems, in: Griebel, M., Schüller, A. et al. (Hg.): Scientific Computing and Algorithms in Industrial Simulations: Projects and Products of Fraunhofer SCAI, Springer-Verlag (2017)

Elfgen, R., Hülsmann, M., Krämer, A., Köddermann, T., Kirschner, K. N., Reith, D., Optimizing Atomstic Force Fields for Aqueous Solutions of Magnesium and Calcium Chloride: Analysis, Achievements and Limitations, The European Physical Journal, Special Topics, 225 (2016), 1391--1409.

Hülsmann, M., Kirschner, K. N., Krämer, A., Heinrich, D. D., Krämer-Fuhrmann, O., Reith, D., Optimizing Molecular Models Through Force Field Parameterization via the Efficient Combination of Modular Program Packages; R.Q. Snurr et al. (eds.) Foundations of Molecular Modeling and Simulation}, S. 53--77.

Hülsmann, M., Köddermann, T., Elfgen, R., Schenk, M., Reith, D., Molekulare Modellentwicklung zur Vorhersage thermophysikalischer Eigenschaften durch Kombination effizienter globaler und lokaler Verfahren: Poster presentation, Thermodynamik-Kolloquium 2014, Universität Stuttgart, Germany, 22.09.-24.09.2014.

Köddermann, T., Arnold, A., Hülsmann, M., Reith, D., Accurate Calculations of Partition Coefficients (Log POW and Log PMW) with Atomistic Simulation Methods: Poster presentation, Liquids 2014, Lissabon, Portugal, 20.-25.07.2014.

Krämer, A., Hülsmann, M., Köddermann, T., Reith, D., Automated Parameterization of Intermolecular Pair Potentials using Global Optimization Techniques, Computer Physics Communications 185 (2014), 3228-3239.

Hülsmann, M., Reith, D.: SpaGrOW - A derivative-free optimization scheme for intermolecular force field parameters based on sparse grids methods, Entropy 15 (2013), 3640-3687.

Hülsmann, M., Kopp, S., Huber, M., Reith, D., Utilization of efficient gradient and Hessian computations in the force field optimization process of molecular simulations, Computational Science & Discovery 6 (2013), 015005.

Hülsmann, M., Kopp, S., Huber, M., Reith, D., Efficient gradient and Hessian calculations for numerical optimization algorithms applied to atomistic molecular simulations, In: Proceedings of the International Conference on Mathematical Modelling in Physical Sciences (IC-MSQUARE), Budapest (Hungary), 2012, IOP Publishing, Journal of Physics: Conference Series 410 (2013), 012007.

Hülsmann, M., Kopp, S., Huber, M., Reith, D., Efficient Gradient and Hessian Calculations for Numerical Optimization Algorithms Applied to Atomistic Molecular Simulations: Oral presentation, International Conference on Mathematical Modeling in Physical Sciences (ICMSQUARE 2012), Budapest, Hungary, 06.09.2012.

Hülsmann, M., Effiziente und neuartige Verfahren zur Optimierung von Kraftfeldparametern bei atomistischen Molekularen Simulationen kondensierter Materie, Fraunhofer SCAI, St. Augustin (Hrsg.), Fraunhofer-Verlag, ISBN 978-3-8396-0426-7, Doktorarbeit, 2012.

Hülsmann, M., Borscheid, D., Friedrich, C. M., Reith, D., General Sales Forecast Models for Automobile Markets and their Analysis, Transactions on Machine Learning 5 (2012), 65-86.

Hülsmann, M., Borscheid, D., Friedrich, C. M., Reith, D., General Sales Forecast Models for Automobile Markets based on Time Series Analysis and Data Mining Techniques, In: Perner, P. (ed.), Proceedings of the 11th Industrial Conference on Data Mining (ICDM), New York (USA), 2011, Advances in Data Mining : Applications and Theoretical Aspects, Springer-Verlag Berlin-Heidelberg, 2011, 1-15.

Hülsmann, M., Borscheid, D., Friedrich, C. M., Reith, D., General Sales Forecast Models for Automobile Markets based on Time Series Analysis and Data Mining Techniques: Oral presentation, International Conference on Data Mining (ICDM 2011), New York, USA, 02.09.2011.

Köddermann, T., Kirschner, K. N., Vrabec, J., Hülsmann, M., Reith, D., Liquid-Liquid Equilibria of Dipropylene Glycol Dimethyl Ether and Water by Molecular Dynamics, Fluid Phase Equilibria 310 (2011), 25-31.

Hülsmann, M., Müller, T. J., Köddermann, T., Reith, D., Automated Force Field Optimisation of Small Molecules using a Gradient-based Workflow Package, Molecular Simulation 36 (2011), 1182-1196.

Hülsmann, M., Köddermann, T., Reith, D., Engineering Chemical Substances via Molecular Simulations Utilizing Efficient Gradient-Based Optimization Algorithms, ERCIM News (2010), Special Theme: Computational Science/Scientific Computing - Simulation \& Modelling for Research and Industry, 25-26.

Hülsmann, M., Vrabec, J., Maaß, A., Reith, D., Assessment of Numerical Optimization Algorithms for the Development of Molecular Models, Computer Physics Communications 181 (2010), 887-905.

Hülsmann, M., Köddermann, T., Vrabec, J., Reith, D., GROW: A Gradient-based Optimization Workflow for the Automated Development of Molecular Models, Computer Physics Communications 181 (2010), 499-513.

Hülsmann, M., Friedrich, C. M., Reith D., A New Approach to Explicable Sales Forecast Models for the German Automobile Market, ERCIM News (2009), Special Theme: Mathematics for Finance and Economy, 30-31.

Brühl, B., Hülsmann, M., Borscheid, D., Friedrich, C. M., Reith, D., A Sales Forecast Model for the German Automobile Market Based on Time Series Analysis and Data Mining Methods, In: Perner, P. (ed.), Proceedings of the 9th Industrial Conference on Data Mining (ICDM), Leipzig (Germany), 2009, Advances in Data Mining : Applications and Theoretical Aspects, Springer-Verlag Berlin-Heidelberg, 2009, 146-160.

Hülsmann, M., Parameter Optimization and Data Mining in Molecular Simulations: Oral presentation, The 5th MAterials science IN mainZ (MATCOR) Summer School, Hall in Tirol, Austria, 04.09.2008.

Hülsmann, M., Friedrich, C. M., Comparison of A Novel Combined ECOC Strategy with Different Multiclass Algorithms Together with Parameter Optimization Methods, In: Perner, P. (ed.), Proceedings of the 5th International Conference on Machine Learning and Data Mining (MLDM), Leipzig (Germany), 2007, Machine Learning and Data Mining in Pattern Recognition, Springer-Verlag Berlin-Heidelberg, 2007, 17-31.

Hülsmann, M., Friedrich, C. M., A novel Combined ECOC Strategy for Multiclass Learning together with Parameter Optimization Methods: Oral presentation, 5th International Conference in Machine Learning and Data Mining (MLDM 2007), Leipzig, Germany, 19.07.2007.