Lecdtures of Dr. hab. Jaroslav Ilnytskyi
Place LUBLIN - IA PAN
Start date: 2014-03-21
End date: 2014-03-21
We invite to another specialized lecture for PhD students and research workers on renewable energy, as part of the Restructuring Programme funded by the Ministry of Science and Higher Education.
Lectures will take Dr. hab. Jaroslav Ilnytskyi, Institute for Condensed Matter Physics, Department of Computer Simulations of Many-Particle Systems, National Academy of Sciences of Ukraine, Lviv, Ukraine; part-time professor in National University “Lviv Polytechnics”.
Subjects of the lectures:
Computer architectures and general principles for modelling (2h)
- Scalar, vector and parallel computing architectures.
- Distributed and shared-memory clusters.
- Parallelisation approaches: ideas and examples.
- Length- and time-scales from quantum mechanics to coarse-grained description.
- Principles for choosing the most suitable level of modelling.
- Brief survey of existing methods.
- Multiscale modelling – the idea and realisations.
- Homebrew vs distributed scientific software packages dilemma.
Atomistic modelling and molecular dynamics approach (2h)
- The method of molecular dynamics.
- Atomic potentials and force-fields.
- Equations of motion and their numerical solution.
- Practical aspects: simulation box, boundary conditions, equilibration and analysis of properties.
- Application to photo-active liquid crystal polymers and elastomers.
- Application to self-assembly of polymer-modified nanoparticles.
Mesoscopic modelling and dissipative particle dynamics approach (2h)
- Brownian motion and Langevin equations of motion.
- Dissipative particle dynamics: idea and realisation.
- Relation and links to real-life systems.
- Application to bulk separation of mixtures, diblock copolymers and membranes swelling.
- Application to separation of mixtures and their flow in narrow pores with modified walls.
- Perspectives.
Lectures will be held on 19, 20 and 21 March 2014, at 10.00 am in the conference room of the Institute.
