Research
Bulgarian Supercomputing Centre’s resources are being used currently for carrying out research in Mathematics, Physics, and Chemistry. Some of the specific topics are:
- Numerical homogenization;
- Linear elasticity simulations;
- Computer model for studying the transport of air pollutants and the connection between global climate change and air pollution;
- Studying the influence of climate changes on high pollution levels in sub-urban areas by using advanced large-scale mathematical models;
- Investigations of molecular interactions and their applications in new materials development and drug design;
- Study of the behaviour of non-ionogenic surfactants at the gas/water interface, where the aqueous medium is characterized by various ionic strengths;
- Systematization of the effect of defect type and pattern of functionalization on the energy spectrum and on the electronic structure of doped carbon nanotubes;
- Optimization of a computational protocol for the correct spin-state ordering of spin-hybrid metal-organic complexes with magnetic properties;
- Molecular simulations modelling the effect of size and environment on the structure, supramolecular organization, electron density distribution and spectral behaviour of polyaniline oligomers;
- Modelling of zeolites and oxides surfaces as adsorbent and catalysts;
- Modelling of transition metal clusters and complexes on support and in solution;
- Computational modelling of the mechanism of protein biosynthesis and related processes in the ribosome.