TY - CHAP A1 - Fackeldey, Konstantin A1 - Krause, Dorian A1 - Krause, Rolf T1 - Weak Coupling Algorithms in Multiscale Simulations T2 - Proceedings of the third Inter. Confer. on Comp. Meth. for Coupled Problems in Science and Engrg Y1 - 2009 SP - 1023pp ER - TY - CHAP A1 - Fackeldey, Konstantin A1 - Krause, Dorian A1 - Krause, Rolf T1 - Quadrature and Implementation of the Weak Coupling Method T2 - MMM 2008: Proceedings of the 4th International Conference on Multiscale Materials Modelling, 27-31 October 2008, Tallahassee, Fla. Y1 - 2008 SP - 62 EP - 65 ER - TY - CHAP A1 - Fackeldey, Konstantin A1 - Krause, Dorian A1 - Krause, Rolf ED - Griebel, Michael ED - Schweitzer, M. T1 - Numerical Validation of Constraints Based Multiscale Methods T2 - Lecture Notes in Computational Science and Engineering Y1 - 2010 SP - 141 EP - 154 ER - TY - JOUR A1 - Fackeldey, Konstantin A1 - Krause, Dorian A1 - Krause, Rolf A1 - Lenzen, Christoph T1 - Coupling Molecular Dynamics and Continua with Weak Constraints JF - SIAM Multiscale Model. Simul. Y1 - 2011 U6 - https://doi.org//10.1137/100782097 N1 - also as MATHEON Preprint VL - 9 SP - 1459 EP - 1494 ER - TY - GEN A1 - Krause, Dorian A1 - Fackeldey, Konstantin A1 - Krause, Rolf T1 - A parallel multiscale simulation toolbox for coupling molecular dynamics and finite elements N2 - It is the ultimate goal of concurrent multiscale methods to provide computational tools that allow to simulation physical processes with the accuracy of micro-scale and the computational speed of macro-scale models. As a matter of fact, the efficient and scalable implementation of concurrent multiscale methods on clusters and supercomputers is a complicated endeavor. In this article we present the parallel multiscale simulation tool MACI which has been designed for efficient coupling between molecular dynamics and finite element codes. We propose a specification for a thin yet versatile interface for the coupling of molecular dynamics and finite element codes in a modular fashion. Further we discuss the parallelization strategy pursued in MACI, in particular, focusing on the parallel assembly of transfer operators and their efficient execution. T3 - ZIB-Report - 13-50 KW - Parallel KW - Atomistic to Continuum KW - Multiscale KW - MACI KW - Meshfree Y1 - 2013 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:0297-zib-42354 SN - 1438-0064 ER - TY - JOUR A1 - Krause, Dorian A1 - Fackeldey, Konstantin A1 - Krause, Rolf ED - Griebel, Michael T1 - A Parallel Multiscale Simulation Toolbox for Coupling Molecular Dynamics and Finite Elements JF - Singular Phenomena and Scaling in Mathematical Models Y1 - 2014 U6 - https://doi.org/10.1007/978-3-319-00786-1_14 SP - 327 EP - 346 PB - Springer International Publishing ER -