THEORY, MODELING AND SIMULATIONS

Assoc. Prof. A. Proykova - Thematic Leader

 Clusters {1,5,6} of a few atoms change any property as their size increases by adding more atoms. Simulations {1, 3, 8} and theoretical {2, 3, 4, 5, 9) studies indicate that the properties vary strongly for smaller sizes, but eventually settle down into a gradual approach to the value which characterizes the particular bulk material.

Nanoparticles {2,3,4} bridge the continuum between the clusters of a few atoms and chunks of solid containing millions of atoms and having properties {2,3,4} of macroscopic bulk material. The interaction scales {1, 5, 8, 9} of various external wave phenomena become comparable to the material entity size suitable for opto-electronic applications. 

Quantum dots {3}, having from a single electron to a collection of several thousands electrons, are small devices fabricated in semiconductor material and have typical dimensions between nanometres to a few microns. 

Processes {4, 8, 9,11) of nanoparticle synthesis and manipulation give insight of how to establish conditions for desired end-products.  

1.      University of Sofia, Faculty of Physics, Monte Carlo Group http://cluster.phys.uni-sofia.bg (Contact: Dr. Proykova anap@phys.uni-sofia.bg for modeling, simulations of finite size-systems and phase transitions)

2. University of Sofia, Faculty of Physics, http://www.phys.uni-sofia.bg/~vpopov/ (Contact: Dr. Popov, tight-binding model, theory and numerical study of nanotubes)
3. University of Sofia, Faculty of Physics, (Contact: Dr. Donchev vtd@phys.uni-sofia.bg for quantum dots)
4. University of Sofia, Faculty of Chemistry, http://www.chem.uni-sofia.bg/ (Contact: D. Sci. Kralchevski pk@cpe.uni-sofia.bg for modeling of processes in chemical engineering and chemical physics)
5. Institute of solid state physics, Laboratory on collective phenomena http://www.issp.bas.bg/~cpcm/CPGENERAL.html (theory of phase transitions)
6. Institute of solid state physics, (Contact: DSci N. Tonchev tonchev@issp.bas.bg for theory of critical phenomena)
7. Institute of solid state physics, Laboratory on liquid crystals, http://www.issp.bas.bg/lab/lc/lc_web.html (Contact: D. Sci. Isak Bivas for theory of liquid crystals)
8. Institute of electronics, http://ie-bas.dir.bg/ (Contact: Dr. E. Balabanova emilia@ie.bas.bg for modeling of processes in particle synthesis)
9. Institute of Physical Chemistry, Department of Phase formation and crystal growth, http://www.ipc.bas.bg/CG.htm (phase transitions, theory of growth, modeling and simulations of polymers, thin films)
10. Institute of mechanics, http://www.imbm.bas.bg/ (Contacts: DSci Brankov brankov@bas.bg for finite-size scaling theory)
11. University of Chemical technology and Metallurgy, Department of Technology of Inorganic Substances (Contacts: DSci Vissokov vissokov@abv.bg for thermodynamic calculations of thermal plasma)