Events

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 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 uni...

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 ...

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...

Congratulations to Vincent Dötschel for the successful completion of his bachelor thesis on the investigation of the material behavior of poly(2-vinylpyridine) using molecular dynamics simulations. Vincent implemented a self-avoiding random walk algorithm for the initialization of polymer chain sys...

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...