EuroHPC Summit Week 2019

Session

PRACEdays Scientific Track 4

May 14, 2019, 5:00 PM

Poznan

Conveners

PRACEdays Scientific Track 4: Materials & Chemistry

• Matej Praprotnik (Laboratory for Molecular Modeling/Theory Department, National Institute of Chemistry)

Contribution list Timetable

23. Modelling mechanism of reactions and active sites in heterogeneous catalysis, looking for reactivity indicators in supported ziegler-natta nano-systems

Maddalena D'Amore (University of Turin)

5/14/19, 5:00 PM

24. Silica for drug-delivery: when simulation can complement experiment

Massimo Delle Piane (University of Bremen, Germany)

5/14/19, 5:30 PM

25. Shear rheology of polymer melts and nanocomposites via nonequilibrium molecular dynamics simulations

Dimitrios Tsalikis (University of Patras)

5/14/19, 6:00 PM

26. The peptide bond condensation reaction at the air/water interface catalyzed by the “salt of the life”

Flavio Siro Brigiano (University of Evry Val D'Essonne, University of Paris Saclay)

5/14/19, 6:30 PM