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The Week of the Czech Academy of Sciences is the largest science festival in the Czech Republic. IT4Innovations National Supercomputing Center is not an institute of the CAS. However, scientists from CAS institutes are the second most important users who obtain computational resources of our supercomputers.
Visit us on Thursday, November 4 - we have a rich programme you. Our invitation has been accepted by computational chemist Pavel Hobza, the most cited Czech scientist, who will introduce you to the contribution of supercomputers in the field of drug design. The IT4Innovations Managing Director, Vít Vondrák, will introduce you to the secrets of supercomputers and supercomputing. You can also take a look behind the scenes of our supercomputing centre and find out what it takes to run supercomputers or visit the 3D cinema, where we will show you some of the projects we are working on and bringing into virtual reality.
lectures
Supercomputers and drug design
Non-covalent interactions, which are much weaker than covalent (chemical) interactions, play a vital role in the biological environment. For example, the structure of the DNA molecule, which stores and transmits genetic information, is determined by non-covalent interactions. Non-covalent interactions play an equally important role in the interaction of small molecules, which may be potential drugs, with proteins. However, these calculations are enormously computationally intensive, as whole biomacromolecules of thousands of atoms need to be considered. Thus, supercomputers play a crucial role in the drug design.
The lecture was prepared for you by Pavel Hobza - a computational chemist, the most cited Czech scientist who has rewritten chemistry textbooks with his discoveries, a holder of the National Czech Head Award for lifetime scientific contribution in the field of computational and theoretical chemistry and the prestigious Schrödinger Medal for studies of non-covalent interactions, awarded once a year by the World Association of Theoretical and Computational Chemists (WATOC).
WHERE: IT4Innovations atrium
WHEN: 4 pm – 5 pm
REGISTRATION for the lecture is required. The lecture capacity is up to 80 people.
All you Wanted to Know about Supercomputers but did not Know who to Ask
Come and hear what the supercomputing centre is, what it is used for, what it helps, and what projects are solved there.
All this and more in the lecture by Vít Vondrák, the IT4Innovations Managing Director himself, who will answer everything you have ever wanted to know about supercomputers!
WHERE: IT4Innovations atrium
WHEN: 5 pm – 6 pm
REGISTRATION for the lecture is required. The lecture capacity is up to 80 people.
excursions
Behind the Scenes of the Supercomputing Centre
See places where few people normally go and learn what it takes to run a supercomputer. From the basement, where a unique backup power system is hidden, to the roof, where heat exchangers with heat pumps are used to heat our entire building and provide domestic hot water.
WHERE: Meeting at the reception on the ground floor 10 minutes in advance.
WHEN: from 2.30 pm to 3.30 pm
REGISTRATION for the excursion is required. The excursion capacity is 26 people.
Excursions are suitable for adults and children from 12 years of age.
Science in virtual reality
Sit back, put on your 3D glasses, and become part of the scientific projects we are working on, which we bring into virtual reality. What looks like a cinema at first glance is actually the Visualisation and Virtual Reality Lab. And as a bonus, we have prepared a virtual tour of our data room.
WHERE: Meeting at the reception on the ground floor 10 minutes in advance.
WHEN: from 3.30 pm to 4 pm
REGISTRATION for the excursion is required. The excursion capacity is 16 people.
Excursions are suitable for adults and children from 12 years of age.
