Dresden 2020 – wissenschaftliches Programm
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AKjDPG: Arbeitskreis junge DPG
AKjDPG 6: Hacky Hour
AKjDPG 6.5: Vortrag
Freitag, 20. März 2020, 10:45–11:00, HSZ 105
LeMonADE - A Lattice Monte Carlo Library — •Martin Wengenmayr1,2, Toni Müller1,2, and Ron Dockhorn1 — 1Leibniz Institute of Polymer Research, Dresden, Germany — 2TU Dresden, Germany
LeMonADE is a Lattice-based extensible Monte-Carlo Algorithm and Development Environment library developed in the group “Theoretical Polymer Physics” of the Leibniz Institute for Polymer Research. It provides a C++ template meta programming interface for Monte Carlo simulations specialized for the Bond Fluctuation Model to investigate polymeric materials. Based on compile-time generated code, the framework provides containers for coordinates, topologies, and various types of metadata, also basic evaluation tools and convenience methods for I/O file handling using a human readable, compressed file format. LeMonADE has been used to simulate a wide variety of coarse-grained polymer systems under excluded volume conditions, selective solvents, nearest neighbor interactions, polymerization processes, external potentials, and even more. In addition to the CPU-based library some GPU accelerated modules are available benefiting from multiprocessor architectures. Furthermore, a visualization tool is offered as well. The project is hosted under GPL on github [https://github.com/LeMonADE-project] with a continuous integration framework running a large set of unit tests. The library has already been used for a wide range of research topics and for several publications in the field of theoretical polymer science.