November 14, the Ukrainian-Polish seminar "Computer simulation of new materials. Status, Problems and Prospects" was held in the Hall of the Administrative Council of NTUU "KPI".

The seminar was organized by the National Technical University of Ukraine "Kyiv Polytechnic Institute", National Academy of Sciences of Ukraine, Mission of the Polish Academy of Sciences in Kiev and the Ukrainian-Polish Centre of NTUU "KPI". There were also three moderators - Professor Henrik Sobchuk (Delegation of the Polish Academy of Sciences in Kiev), a member of the National Academy of Sciences of Ukraine Sergey Sidorenko (NTUU "KPI") and corresponding member of NAS of Ukraine Michael Stern (Institute of Materials Science named after I.M.Frantsevych National Academy of Sciences of Ukraine).

The seminar was attended by Ukrainian and Polish researchers of problems in theoretical physics and materials science, graduate and undergraduate students of NTUU "KPI" of appropriate specialties.

Computer simulation - one of the most modern methods used by scientists working in the field of theoretical physics. This allows optimization of new materials with defined properties creation. So now the computer is being used for the design and structure of new materials and diversified destination characteristics, studying processes in them. This is a rather new method of the penetration of computer technology into all areas of human life, that happens almost before our eyes. Therefore, those who use it now, standing in the sources of new scientific discipline that gives researchers powerful tools for the design of materials and significantly speed up the process of promoting new developments from laboratories to production. But there are certain questions on the way of its development, which participants in this workshop tried to solve.

Some of them were discussed in the report of the Scientific Secretary of the Institute of Materials Science of I.M.Frantsevych National Academy of Sciences of Ukraine Valeriy Kartuzov. The name of the report was "Basic principles of computer modeling of material science problems at the macro, meso and mikrostructural levels". It was formulated not only the basic principles, but also the basic requirements for mathematical models in solving problems in materials. "The object of a research in computational experiments is a mathematical model of material science problem, not the problem of materials research itself - said Valery Kartuzov. - Construction of mathematical models in materials problem is a major component of computational experiments, which is included with the Materials Research Problem formulation and implementation of the model in computer programs, the calculation gives the unique setting in which the experiment is conducted ... To model has a right to exist, it must pass through a gauntlet duties that meet certain requirements. "This performance largely determine the main direction of further discussions.

The workshop program included lectures and reports representatives of research institutes of the NAS of Ukraine, NTUU "KPI" and the Polish Academy of Sciences. Some regulations and research results, which the reporters dealt with, caused a lively discussion among the participants. It was also envisaged the student session, where speakers were from their youngest age, researchers who study in the KPI. Topics covered general issues of the modern ideology of computer design of materials, the use of computer design in the creation of advanced materials with predetermined properties because of the use of such materials in specific systems and devices, using computer design of materials as a combination of theoretical (quantum simulation) modeling and experimental approach to the creation of new materials and others.

[14.11.2014] Ukrainian-Polish seminar on "Computer modeling of new materials. Status, problems and prospects"

November 14 at 10:00, Ukrainian-Polish seminar on "Computer modeling of new materials. Status, Problems and Prospects" will be held in the Hall of the Administrative Council of NTUU “KPI”.

Computer simulation is one of the most modern method used today by scientists working in the field of theoretical physics. It allows an optimization and provides a significant acceleration of new materials with defined properties. So now the computer is being used for the design of the structure of new materials of diversified destination characteristics, for studying processes in them.

The seminar program includes lectures and reports of scientists of the NAS of Ukraine and the Polish Academy of Sciences, researchers, teachers and students of NTUU "KPI" and discussion. The topics of the seminar cover issues of contemporary ideology computer construction materials, the use of computer design in the creation of advanced materials with predetermined properties, the use of computer design of materials as a combination of theoretical (quantum simulation) modeling and experimental approaches for creating new materials, etc.

The seminar was organized by the National Technical University of Ukraine "Kyiv Polytechnic Institute", National Academy of Sciences of Ukraine, Mission of the Polish Academy of Sciences in Kiev and the Ukrainian-Polish Centre of NTUU "KPI".
Scholars and students working in theoretical physics are invited to participate in the seminar.

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