Allgemein

We congratulate Sebastian Reber who completed and successfully defended his project thesis on polymer nancomposites with grafted nanoparticles. He implemented a numerical tool in LAMMPS to create nanoparticles with surface grafting inspired by the techniques used in polymer synthesis. Based on this,...

We are pleased to announce the completion und successful defense of Eva Richter's bachelor thesis! She continued the studies within the polystyrene-silica interphase project and implemented an automated generation of representative volume elements (RVEs) with multiple filler inclusions at various si...

On July 27-29, we held a Capriccio mini retreat in Baiersdorf (next to Altkunstadt in Upper Franconia), focusing on our upcoming doctoral theses and the Frascal renewal proposal. Starting with presentations by Wuyang and Christof on the current status of their dissertations, we intensively discus...

On June 23, we held our Capriccio Junior Party, to which all students who have been involved in the Capriccio group for the past two years were invited. This way we could all get to know each other better, which was partly impeded by the Corona pandemic. Our principal investigator Sebastian Pfaller ...

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 mech...

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 affe...

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 ...

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...

On November 26th, 2021, the “1st (virtual) FRASCAL Symposium” took place in an online format. There, principal advisors (PAs) of the research training group 2423 “FRASCAL” and guest speakers gave insights into their research. Sebastian Pfaller as the PA of FRASCAL’s project P6 represented the Capric...