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The Capriccio group focuses on multiscale simulations of polymers and develops the Capriccio method, which implements a partitioned-domain coupling between a continuum and particle-based regions. Employing this novel technique and considering scale-bridging approaches of other groups, our particular interest is integrating processes at the atomistic and molecular scale into typical engineering scales. To this end, we investigate how molecular processes and macroscopic properties are linked to each other and how this knowledge can improve the performance of materials and structures.
We congratulate Vincent Dötschel for successfully finishing his project thesis titled "Revealing the Interphase in Epoxy-Based Adhesive Joints via Coarse-Grained Molecular Dynamics". Vincent continued the work of Eva Richter and implemented a numerically stable MD model for the investigation of an e...
We cordially congratulate Eva Richter on successfully defending her master's thesis titled “A ‘Capriccio light’ approach to study the capabilities of multiscale fracture simulations of thermoplastics”. In her thesis, Eva used pure molecular dynamics simulations of a generic thermoplastic polymer to ...
Felix and Sebastian organised together with Fabrice Detrez (Paris), Andrea Giuntoli (Groningen), Matej Praprotnik (Ljubljana), and Maxime Vassaux (Rennes) the symposium "Multiscale simulations of polymers and polymer composites" at the 11th International Conference on Multiscale Materials Modeling (...
We congratulate Johannes Roksvaag for successfully finishing his Bachelor's thesis titled "Improving the Performance of the
Capriccio Method by Migrating to the Open-Source Programming Language Julia". Johannes migrated the Capriccio method, which couples molecular dynamics domains to finite elemen...
We are delighted to announce that Wuyang Zhao received a DFG individual research grant for his project "Investigating brittle-to-ductile transition in glassy polymers by multiscale modeling across atomistic and continuum scales". In this project, he will investigate the mechanisms of toughness in gl...
Felix Weber visited Dr. Maxime Vassaux at the Institut de Physique de Rennes (IPR) for five weeks. During this research visit, Maxime and Felix discussed and performed multiscale fracture simulations of silica glass using the Capriccio method. The focus was on analyzing the structural (e.g., radial/...
