TY - GEN A1 - Arnold, Thomas A1 - Berthold, Timo A1 - Heinz, Stefan A1 - Vigerske, Stefan A1 - Henrion, René A1 - Grötschel, Martin A1 - Koch, Thorsten A1 - Tischendorf, Caren A1 - Römisch, Werner T1 - A Jack of all Trades? Solving stochastic mixed-integer nonlinear constraint programs N2 - Natural gas is one of the most important energy sources in Germany and Europe. In recent years, political regulations have led to a strict separation of gas trading and gas transport, thereby assigning a central role in energy politics to the transportation and distribution of gas. These newly imposed political requirements influenced the technical processes of gas transport in such a way that the complex task of planning and operating gas networks has become even more intricate. Mathematically, the combination of discrete decisions on the configuration of a gas transport network, the nonlinear equations describing the physics of gas, and the uncertainty in demand and supply yield large-scale and highly complex stochastic mixed-integer nonlinear optimization problems. The Matheon project "Optimization of Gas Transport" takes the key role of making available the necessary core technology to solve the mathematical optimization problems which model the topology planning and the operation of gas networks. An important aspect of the academic impact is the free availability of our framework. As a result of several years of research and development, it is now possible to download a complete state-of-the-art framework for mixed-integer linear and nonlinear programming in source code at http://scip.zib.de T3 - ZIB-Report - 14-14 KW - gas transport optimization KW - mixed integer nonlinear programming Y1 - 2014 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-49947 SN - 1438-0064 ER - TY - GEN A1 - Arnold, Thomas A1 - Berthold, Timo A1 - Heinz, Stefan A1 - Vigerske, Stefan A1 - Henrion, René A1 - Grötschel, Martin A1 - Koch, Thorsten A1 - Tischendorf, Caren A1 - Römisch, Werner ED - Deuflhard, Peter ED - Grötschel, Martin ED - Hömberg, Dietmar ED - Horst, Ulrich ED - Kramer, Jürg ED - Mehrmann, Volker ED - Polthier, Konrad ED - Schmidt, Frank ED - Schütte, Christof ED - Skutella, Martin ED - Sprekels, Jürgen T1 - A Jack of all Trades? Solving stochastic mixed-integer nonlinear constraint programs T2 - MATHEON - Mathematics for Key Technologies N2 - Natural gas is one of the most important energy sources in Germany and Europe. In recent years, political regulations have led to a strict separation of gas trading and gas transport, thereby assigning a central role in energy politics to the transportation and distribution of gas. These newly imposed political requirements influenced the technical processes of gas transport in such a way that the complex task of planning and operating gas networks has become even more intricate. Mathematically, the combination of discrete decisions on the configuration of a gas transport network, the nonlinear equations describing the physics of gas, and the uncertainty in demand and supply yield large-scale and highly complex stochastic mixed-integer nonlinear optimization problems. The Matheon project "Optimization of Gas Transport" takes the key role of making available the necessary core technology to solve the mathematical optimization problems which model the topology planning and the operation of gas networks. An important aspect of the academic impact is the free availability of our framework. As a result of several years of research and development, it is now possible to download a complete state-of-the-art framework for mixed-integer linear and nonlinear programming in source code at http://scip.zib.de Y1 - 2014 U6 - https://doi.org/10.4171/137 VL - 1 SP - 135 EP - 146 PB - European Mathematical Society ER - TY - JOUR A1 - Andrae, Karsten A1 - Merkel, Stefan A1 - Durmaz, Vedat A1 - Fackeldey, Konstantin A1 - Köppen, Robert A1 - Weber, Marcus A1 - Koch, Matthias T1 - Investigation of the Ergopeptide Epimerization Process JF - Computation N2 - Ergopeptides, like ergocornine and a-ergocryptine, exist in an S- and in an R-configuration. Kinetic experiments imply that certain configurations are preferred depending on the solvent. The experimental methods are explained in this article. Furthermore, computational methods are used to understand this configurational preference. Standard quantum chemical methods can predict the favored configurations by using minimum energy calculations on the potential energy landscape. However, the explicit role of the solvent is not revealed by this type of methods. In order to better understand its influence, classical mechanical molecular simulations are applied. It appears from our research that “folding” the ergopeptide molecules into an intermediate state (between the S- and the R-configuration) is mechanically hindered for the preferred configurations. Y1 - 2014 U6 - https://doi.org/10.3390/computation2030102 VL - 2 IS - 3 SP - 102 EP - 111 ER - TY - JOUR A1 - Pfetsch, Marc A1 - Fügenschuh, Armin A1 - Geißler, Björn A1 - Geißler, Nina A1 - Gollmer, Ralf A1 - Hiller, Benjamin A1 - Humpola, Jesco A1 - Koch, Thorsten A1 - Lehmann, Thomas A1 - Martin, Alexander A1 - Morsi, Antonio A1 - Rövekamp, Jessica A1 - Schewe, Lars A1 - Schmidt, Martin A1 - Schultz, Rüdiger A1 - Schwarz, Robert A1 - Schweiger, Jonas A1 - Stangl, Claudia A1 - Steinbach, Marc A1 - Vigerske, Stefan A1 - Willert, Bernhard T1 - Validation of Nominations in Gas Network Optimization: Models, Methods, and Solutions JF - Optimization Methods and Software N2 - In this article we investigate methods to solve a fundamental task in gas transportation, namely the validation of nomination problem: Given a gas transmission network consisting of passive pipelines and active, controllable elements and given an amount of gas at every entry and exit point of the network, find operational settings for all active elements such that there exists a network state meeting all physical, technical, and legal constraints. We describe a two-stage approach to solve the resulting complex and numerically difficult feasibility problem. The first phase consists of four distinct algorithms applying linear, and methods for complementarity constraints to compute possible settings for the discrete decisions. The second phase employs a precise continuous programming model of the gas network. Using this setup, we are able to compute high quality solutions to real-world industrial instances that are significantly larger than networks that have appeared in the mathematical programming literature before. Y1 - 2014 U6 - https://doi.org/10.1080/10556788.2014.888426 PB - Taylor & Francis ER - TY - CHAP A1 - Shinano, Yuji A1 - Achterberg, Tobias A1 - Berthold, Timo A1 - Heinz, Stefan A1 - Koch, Thorsten A1 - Winkler, Michael ED - IEEE, T1 - Solving Hard MIPLIP2003 Problems with ParaSCIP on Supercomputers: An Update T2 - IPDPSW'14 Proceedings of the 2014 IEEE, International Parallel & Distributed Processing Symposium Workshops Y1 - 2014 SN - 978-1-4799-4117-9 U6 - https://doi.org/10.1109/IPDPSW.2014.174 SP - 1552 EP - 1561 PB - IEEE Computer Society CY - Washington, DC, USA ER -