6th Annual Conference of IT4Innovations and 1st Users Conference of IT4Innovations

Session

Plenary talks 2

31 Oct 2017, 16:00

atrium (IT4Innovations)

14. Generating discrete structures & HPC

Dr Stanislav Böhm (IT4Innovations)

31/10/2017, 16:00

Plenary talks

We are introducing Haydi -- a Python tool for generating discrete structures. It provides an easy way to define a structure from basic building blocks (e.g. Cartesian product, mappings) and then enumerate all elements, all non-isomorphic elements, or generate random elements. It is designed to provide a tool for checking claims on small instances and for generating "interesting" instances of a...

43. Using the IT4I infrastructure on the enzymatic reactions studies

Dr Stanislav Kozmon (CEITEC MU, Masaryk University; National Centre for Biomolecular Research, Masaryk University; Slovak Academy of Sciences)

31/10/2017, 16:20

Plenary talks

Studying of the enzymatic reaction is still quite challenging task. Whole protein including the ligands and usually also the solvent should be used during the calculation. It brings together thousands or tens of thousands atoms. Such a big systems can bet threated only using the HPC resources and employing the specific methodologies as hybrid quantum mechanics / molecular mechanics (QM/MM)...

24. Examon Web: A Visualization Framework for Live and Collected Power, Energy, Performance and Operational Data in Supercomputers

Mr Petr Stehlík (FIT VUT)

31/10/2017, 16:40

Users contributions

In the race toward exascale computing, supercomputing systems are getting more complex. This makes it more difficult to operate the computing resources, infrastructure and software components at the most efficient point. The first step to counteract these trends is to give users and system administrators a cockpit from which they can visually inspect status of the cluster and executed...

51. Calculating ultrafast laser-induced magnetization dynamics

Dr Karel Carva (Department of Condensed Matter Physics, Charles University)

31/10/2017, 17:00

Users contributions

Since the first demonstration of femtosecond laser-induced demagnetization in 1996 [1], optical manipulation of magnetization has developed into a vibrant area of research that has explosively grown over the last decade. The most interesting one of discoveries is the demonstration of all-optical magnetization reversal and opto-magnetic recording with femtosecond laser pulses....