Mathematical and Computational Modelling in Mutlidisciplinary areas of Science and Engineering. Three Lectures mini-series.
24 Feb 2014 - 26 Feb 2014

Interdisciplinary Centre for Mathematical and Computational Modelling (ICM) was founded in 1993 as an institution new to then existing Polish system of science. ICM’s interdisciplinary attitude was a driving force in all forms of activity: research, research infrastructures, education and promotion. Due to this attitude, a high number of research and R&D projects were undertaken, with quite a few rather spectacular results, in areas ranging from simulation of enzymatic reactions dynamics at mixed quantum-classical scale, computational design of biomolecular machines, search for new classes of advanced functional materials up to computational modelling of complex operational networks for air transportation applications via optimization of technological processes in food industry (chocolate manufacturing and espresso coffee making). 

As a natural consequence of the interdisciplinary character, ICM lives on partnerships, offering high add-on value in several respects. In particular, there is no close analogue of the harmonized combination of interdisciplinarity in research and education, capability in ICT research infrastructures, and a wide range of contributions to national and broader programs. 

Title Date Time
Lecture 1 The concept of interdisciplinarity as driving constitutive idea for ICM research & development activities 24 February 2014, Monday 2.30 pm – 3.30 pm
Lecture 2 ICM’ contributions and role in national and international research e-infrastructures 25 February 2014, Tuesday 10 am – 11 am
Lecture 3 Computational modelling and management of complex operational dynamical networks 26 February 2014, Wednesday 2.30 pm – 3.30 pm


Venue
: Level 17, Charles Babbage Room, 1 Fusionopolis Way,Connexis South, Singapore 138632

Speaker: Professor Marek Niezgódka PhD, DSc


ABSTRACT

Lecture 1: The concept of interdisciplinarity as driving constitutive idea for ICM research & development activities:
In this talk, a selection of representative projects will be overviewed, with the aim to reflect today’s interdisciplinary capacity of ICM. The specific problems addressed will include:
Modelling of the dynamics of systems with complex geometry and topology:
o operational networks
o structured populations
o multi-scale porous media
o cosmology of dark matter 
Applications to life sciences, biotechnology and personalized medicine:
o non-invasive diagnostics in cardiology and cardiosurgery planning
o new protocols in traumatology
o high-throughput solutions for multiscale modelling of disease agents
o dynamics, aggregation and diffusion in macromolecular complexes
o impact of external stresses and shocks on biological systems
o enzymatic reactions in biosystems (quantum-classical scale of resolution)
Applications to natural environment:
o high-resolution numerical weather prediction
o decision support for atmospheric developments-dependent systems in public sector, industry and agriculture
o detection of clear-air turbulence
o air transportation systems
Materials science and technology:
o New SiC-based materials
o Quantum semiconducting nanostructures for biosensing
A few out of wide range of new algorithmic solutions and their implementations optimized for latest (and forthcoming) computer architectures will also be referred to:
Scientific visualization and visual data analysis
Specific highly-scalable software solutions for next-generation architectures and distributed environments

Lecture 2: ICM’ contributions and role in national and international research e-infrastructures
Some of the ICM contributions to large research infrastructures and their development:
national networked HPC infrastructure: applications software, capability computing
national virtual library of science: content, software system
unified national academic information infrastructure: integrated system
Polish Research Bibliography   and    Polish Citation Index
EU:  DRIVER  and  OpenAIRE open repository infrastructures
EU: EuDML (European Digital Mathematics Library)
EU:  UNICORE – grid infrastructure (security functionalities)

In this talk, a synthetic overview will be given, focused on:
main underlying ideas and implementation concepts of ICM’s mission
positioning of ICM in the national and international research and e-infrastructure landscape
current activities and 2020-oriented action plan

Lecture 3: Computational modelling and management of complex operational dynamical networks
Research challenges in mathematical modelling of processes in systems with complex geometry/topology arise at:
basic mathematical level where assemblies of standard models exhibit features preventing any use of existing formalisms; this will be addressed for nonlinear diffusion in non-homogeneous systems over complex domains
computational level where natural multiscale set-ups lead to extreme range gaps of the driving variables, hence contributing to high sensitivity and lacking numerical stability
At ICM, problems of such a complexity are explored equally in the context of theoretical foundations and applied aspects ranging up to computer-based implementations of the developed solutions.  All this refers to the process dynamics on complex operational networks with intrinsic structure. 
Specific solutions were proposed within stochastic framework, with a wide range of application areas to prediction, planning and control of such systems. 
Among applications, a number  of problems arising in various areas of air transportation will be reported in the talk. Those problems refer to:
Air traffic management, in the context of forthcoming Single European Sky  policy
Airport operations planning and optimization
Multi-horizon airline operations planning, scheduling and management
Other associated application areas that will be reviewed include modelling of epidemic spreading, specifically addressing various types of influenza. Recent large-scale computer simulation solutions developed at ICM  for modelling multiscale biological developments will be presented, exhibiting high scalability of the implementations on BlueGene/Q systems.


Biography
Professor Marek Niezgódka PhD, DSc

Main Scientific Achievement
  • Mathematical results on the uniqueness in 2-phase Stefan-like problems with nonlinearities in source and boundary flux terms.
  • Underlying contributions to the construction of mathematical models for the dynamics of structural transformations of martensitic type activated by coupled physical mechanisms, with application to modelling thermomechanically-driven processes in shape memory alloys; construction of effective computational approaches to the coupled dynamical systems of mixed-type balance laws with degenerations.
Those contributions have got a visible impact on the research of several groups of applied mathematicians and computational scientists, in particular within the Free Boundary Community, until now.
  • Construction of mathematical models for the dynamics of non-isothermal diffusion-driven phase separation phenomena, accounting for multiscale mechanisms of phase separation and coupled driving mechanisms: characterization results on large-time developments and structure stabilization; basis for the development of effective computational approaches to multiscale systems controlled by external forcing.
Those results have influenced the mathematical research of several groups, despite of numerous further developments still opening challenging perspectives.
Expertise

No of Participants:

  • parabolic free boundary problems (Stefan problems and its control),
  • inverse parabolic problems,
  • nonlinear degenerate parabolic problems,
  • nonlinear evolutionary systems (incl. variational inequalities),
  • mathematical models of dynamic phase transitions,
  • including diffusion-driven processes,
  • phase change phenomena,
  • structural displacive transformations in shape memory alloy,
  • numerical analysis and computational aspects of models for dynamics of phase transitions and structure formation phenomena.

No of Participants: 11, 13, 19

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