Events

Browse all posts in the Events category.

79 to 84 of 106

29JUN 2022
Allgemein
Publication on accelerated MD simulations
We are delighted to announce the publication of “Accelerating molecular dynamics simulations by a hybrid molecular dynamics-continuum mechanical approach” in Soft Materials: https://doi.org/10.1080/1539445X.2022.2061513 In this publication, we propose a hybrid molecular dynamics-continuum mechanical (MD-CM) approach to simulate the deformation behavior of a polymer. With this technique, we partly substitute MD simulations by continuum mechanical considerations […]We are delighted to announce the publication of “Accelerating molecular dynamics simulations by a hybrid molecular dynamics-continuum mechanical approach” in Soft Materials: https://doi.org/10.1080/1539445X.2022.2061513 In this publication, we propose a hybrid molecular dynamics-continuum mechanical (MD-CM) approach to simulate the deformation behavior of a polymer. With this technique, we partly substitute MD simulations by continuum mechanical considerations […]
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20MAY 2022
Events
Project thesis: David Torres Huamani
Congratulations to David Torres Huamani on the successful completion of his project thesis! He extended the inelastic Capriccio method to coupling with multiple MD domains. After a thorough parameter study, he validated the extended method by comparing it to pure MD and pure FE simulations under uniaxial tension with various strain rates. His work is […]
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17MAY 2022
Events
18th European Mechanics of Materials Conference (EMMC18)
The 18th European Mechanics of Materials Conference (EMMC18) took place from April 4th to 6th, 2022. The event was held in a hybrid format with participation possible on-site as well as digitally. Due to the high demand, the number of on-site participants was limited, which meant that the Capriccio group, represented by Christof Bauer, attended the […]
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25APR 2022
Allgemein
Bachelor thesis: Jakob Seibert
Congratulations to Jakob Seibert on successfully completing his bachelor thesis on the structure of polymer nanocomposites. He used the Z1-Algorithm to analyze the entanglements distribution within the polymer chain samples. Based on this distribution, he investigated how the filler particles affect the polymer bulk’s microstructure. He was able to show that the entanglement distribution around […]Congratulations to Jakob Seibert on successfully completing his bachelor thesis on the structure of polymer nanocomposites. He used the Z1-Algorithm to analyze the entanglements distribution within the polymer chain samples. Based on this distribution, he investigated how the filler particles affect the polymer bulk’s microstructure. He was able to show that the entanglement distribution around […]
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14MAR 2022
Allgemein
Publication on extension of the Capriccio method
We are delighted to announce the publication of “Addressing Surface Effects at the Particle-Continuum Interface in a Molecular Dynamics and Finite Elements Coupled Multiscale Simulation Technique” in the Journal of Chemical Theory and Computation: https://doi.org/10.1021/acs.jctc.1c00940 This publication results from close cooperation with our colleagues from the Theoretical Physical Chemistry group at Technische Universität Darmstadt. Together, […]We are delighted to announce the publication of “Addressing Surface Effects at the Particle-Continuum Interface in a Molecular Dynamics and Finite Elements Coupled Multiscale Simulation Technique” in the Journal of Chemical Theory and Computation: https://doi.org/10.1021/acs.jctc.1c00940 This publication results from close cooperation with our colleagues from the Theoretical Physical Chemistry group at Technische Universität Darmstadt. Together, […]
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31JAN 2022
Allgemein
Habilitation thesis published
After preparing the monograph for printing, Sebastian Pfaller’s habilitation thesis is available both in online format and as a hard copy. The digital version can be downloaded at https://doi.org/10.25593/opus4-fau-18036. The thesis summarizes the recent research activities of our group and reflects them in a unified perspective. This includes the enhancement of the Capriccio method [1] […]
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