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...
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)...
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...
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....
