The Best Paper Award of the GS SimTech and the Industrial Consortium SimTech e. V. honors outstanding scientific achievements of our doctoral researchers.
The award winners
Christian Pfaendner
ART-SM: Boosting Fragment-Based Backmapping by Machine Learning
Christian Pfaendner, Viktoria Korn, Pritom Gogoi, Benjamin Unger, Kristyna Pluhackova (2025). Journal of Chemical Theory and Computation, Volume 21, Issue 8, April 4, 2025. https://doi.org/10.1021/acs.jctc.5c00189
Sebastian Höpfl
Sebastian Höpfl, Mohamed Albadry, Uta Dahmen, Karl-Heinz Herrmann, Eva Marie Kindler, Matthias König, Jürgen Rainer Reichenbach, Hans-Michael Tautenhahn, Weiwei Wie, Wan-Ting Zhao, Nicole Radde (2024). Bayesian modelling of time series data (BayModTS) – a FAIR workflow to process sparse and highly variable data. Bioinformatics, Volume 40, Issue 5, May 2024, btae312, https://doi.org/10.1093/bioinformatics/btae312
Raphael Leiteritz and Timothy Praditia
PDF: An extensive benchmark for scientific machine learning
Takamoto, M., Praditia, T., Leiteritz, R., MacKinlay, D., Alesiani, F., Pflüger, D., & Niepert, M. (2022). PDEBench: An extensive benchmark for scientific machine learning. Advances in Neural Information Processing Systems, 35, 1596-1611. (Proceedings of the 36th Conference on Neural Information Processing Systems (NeurIPS 2022)).
Code: An extensive benchmark for scientific machine learning
Takamoto, Makoto; Praditia, Timothy; Leiteritz, Raphael; MacKinlay, Dan; Alesiani, Francesco; Pflüger, Dirk; Niepert, Mathias, 2022, "PDEBench Datasets", https://doi.org/10.18419/darus-2986, DaRUS, V3
Viviane Klingel, IST
Model-based robustness and bistability analysis for methylation-based, epigenetic memory systems
V. Klingel, T. Ullrich, S. Weirich, A. Jeltsch, N. Radde
In: he FEBS Journal, 288(19), 5692–5707. 2021
Samuel Tovey, ICP
DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning
S. Tovey, A. N. Krishnamoorthy, G. Sivaraman, J. Guo, C. Benmore, A. Heuer, C. Holm
In: The Journal of Physical Chemistry C 124(47)(25760-25768), 2020.
Beatrix Becker, IWS
B. Becker, B. Guo, K. Bandilla, M. Celia, B. Flemisch, R. Helmig
In: 2018 Water Resources Research
Christoph Dibak, IPVS
Andreas Schmidt, IANS
Server-assisted interactive mobile simulations for pervasive applications
C. Dibak, A. Schmidt, F. Dürr, B. Haasdonk and K. Rothermel
In: 2017 IEEE International Conference on Pervasive Computing and Communications (PerCom)
Christian Kleinbach, ITM
Incorporating Muscle Activation Dynamics into the Global Human Body Model.
Feller, L.; Kleinbach, C.; Fehr, J.; Schmitt, S.
In: Proceedings of IRCOBI Conference, September 14 – 18. 2016.
Tille Karoline Rupp, INSPO
T.K. Rupp, W. Ehlers, N. Karajan, M. Günther, S. Schmitt; Institut für Mechanik (Bauwesen) Institut für Sport- und Bewegungswissenschaft
In: Biomechanics and Modeling in Mechanobiology (2015) - DOI:10.1007/s10237-015-0656-2
Claus Braun, ITI
Alexander Schöll, ITI
Daniel Wirtz, MIB
Adaptive Parallel Simulation of a Two-Timescale Model for Apoptotic Receptor-Clustering on GPUs
A. Schöll, C. Braun, M. Daub, G. Schneider, H.-J. Wunderlich; Institut für Technische Informatik Institut für Analysis, Dynamik und Modellierung
In: 2014 IEEE International Conference on Bioinformatics and Biomedicine (BIBM) (2014) - DOI:10.1109/BIBM.2014.6999195
2013
- David Molnar, IMWF
Molecular Dynamics virtual testing of thermally aged Fe–Cu microstructures obtained from multiscale simulations
David Molnar, Peter Binkele, Alejandro Mora, Rajdip Mukherjee ,Britta Nestler, Siegfried Schmauder.
In: Computational Materials Science 81 (2013), 466 - 470 - Rudolf Weeber, ICP
Microstructure and magnetic properties of magnetic fluids consisting of shifted dipole particles under the influence of an external
R. Weeber, M. Klinkigt, S. Kantorovich, C. Holm; Institut für Computerphysik
In: Journal of chemical physics 21 (2013), 214901 - DOI:10.1063/1.4832239
2012
- Mathias Bürger, IST
A Distributed Simplex Algorithm for Degenerate Linear Programs and Multi-Agent Assignments
M. Bürger, G. Notarstefano, F. Allgöwer, F. Bullo; Institut für Systemtheorie und Regelungstechnik
In: Automatica 48 (2012), 2298-2304 - DOI:10.1016/j.automatica.2012.06.040 - Markus Üffinger, VIS
FTLE Computation Beyond First-Order Approximation
M. Üffinger, F. Sadlo, M. Kirby, C. Hansen, T. Ertl; Institut für Visualisierung und Interaktive Systeme
In: Eurographics Short Papers (2012) - DOI:10.2312/conf/EG2012/short/061-064
2011
- Katherina Baber, IWS, and Klaus Mosthaf, IWS
A coupling concept for two-phase compositional porous-medium and single-phase compositional free flow
K. Mosthaf, K. Baber, B. Flemisch, R. Helmig, A. Leijnse, I. Rybak, B. Wohlmuth; Institut für Wasser- und Umweltsystemmodellierung Institut für Angewandte Analysis und Numerische Simulation
In: Water Resources Research 47 (2011), W10522 - DOI:10.1029/2011WR010685 - Marcus Reble, IST
Model Predictive Control for Nonlinear Time-Delay Systems without Terminal Constraint
M. Reble, F. D. Brunner, F. Allgöwer; Institut für Systemtheorie und Regelungstechnik
In: Proc. 18th IFAC World Congress (2011), 9254-9259 - DOI:10.3182/20110828-6-IT-1002.00607
2010:
- Mirko Sonntag, IAAS
BPEL4Pegasus: Combining Business and Scientific WorkflowsM. Sonntag, D. Karastoyanova, E. Deelman; Institut für Architektur von Anwendungssystemen
In: Service-Oriented Computing 6470 (2010), 728-729 - DOI:10.1007/978-3-642-17358-5_75