Born: February 14, 1937

Profession: Computer Sciences and Information Technology, Theoretical, Quantum, and Computational Chemistry

Sex: Male

Marital Status: Married to Nataliya Kruglyak-Radomyselskaya

Children: 3 Grandchildren: 5

Post Addresses: 

• 
  
  
  

  Private: 
  
  
  43 French Blvd Apartment 3
  
  Odessa 65044 Ukraine
  
  
  URL: www.webservicestudio.com
  
  E-mail: quantum@farlep.net
  
  Fax: +1-603-462 5958
  
  Tel: +380-482-60 33 14 
  
  
   



• 
  
  
  

  Office: 
  
  
  Department of Information Technologies 
  
  
  Odessa Ukrainian Ecological University 
  
  
  15 Lvovskaya St 
  
  
  Odessa 65016 Ukraine 
  
  
  URL: www.farlep.net/~dit
  
  
  E-mail: dit@farlep.net

Education, Degrees, Titles:

[1959 - 1962] Graduate Student at Kharkov State University, Department of Physical Chemistry 


and Case Institute of Technology, Department of Chemistry, Cleveland, Ohio, U.S.A.

[1969] Degree of Doctor of Sciences in Physical Chemistry: 


Thesis "Theoretical Study of Conjugated Systems in Paramagnetic States"

[1981] Professor of Physics

[1994] Academician, High Education Academy of Sciences of Ukraine

Carrier:

[1963 - 1971] Head of Laboratory of Quantum Chemistry, The A.I.Brodsky Institute of Physical Chemistry, 


National Academy of Sciences of Ukraine (NASU), Kiev

[1971 - 1979] Head of Department of Molecular Quantum Mechanics, The N.N.Bogolyubov Institute for Theoretical Physics, 


NASU, Kiev

[1979 - 1981] Head of Laboratory of Theoretical Chemistry, The A.V.Bogatsky Physico-chemical Institute, NASU, Odessa

[1989 - 1998] Head of Department of Molecular Electronics, The I.I.Mechnikov Odessa State University

[1998 - upnow] Professor at Department of Information Technologies, Odessa Ukrainian Ecological University

Work experience:

Regular courses:

• Computer sciences with elements of computational chemistry [Three-semester-course]
  
  
  
• Basic physics [Five-semester-course]
  
  
  
• Quantum mechanics and quantum chemistry [Two-semester-course]
  
  
  
• Molecular spectroscopy [Two-semester-course]
  
  
  
• Quantum biochemistry and pharmacology [One-semester-course]
  
  
  
• Advanced molecular quantum mechanics [One-semester-course]
  
  
  
  
• Advanced quantum chemistry and computational chemistry [Two-semester-course] 
  
  
  
  
  
  


• Linear algebra and analytical geometry [One-semester-course] 
  
  
  
  
  
  


• Net technologies [One-semester-course] 
  
  
  
  
  
  


• Computer Nets [One-semester-course]

Research:

Other work experience:

• Well acquainted with computers and telecommunication technologies, library, office and publishing works;
  
  
• May serve as R & D consultant and science expert;
  
  
• Speaking, reading, writing, understanding English - fluent;
  
  
• Current private project-on-line: Web design and web service [jointly with Dr. Nataliya Kruglyak].
  
  

Selected publications:

• Yu.A.Kruglyak, D.R.Whitman. Tables of Quantum Chemistry Integrals. Vol. 1. Tables of Integrals An(1,a) and Bn(a). Computing Center, USSR Academy of Sciences, Moscow, 1965, XLX + 440 pp.
  
  
  
• Yu.A.Kruglyak. Tables of Quantum Chemistry Integrals. Tables of Two-Center One-Electron Molecular Integrals. Kharkov University Press, 1966, XX + 250 pp.
  
  
  
• Yu.A.Kruglyak, G.G.Dyadyusha et al. Computational Methods in Quantum Chemistry. Computation of pi-Electronic Structure of Molecules by Simple MO Methods. Naukova Dumka Press, Kiev, 1967, 162 pp.
  
  
  
• Yu.A.Kruglyak, G.G.Dyadyusha, V.A.Kuprievich et at. Computational Methods of Electronic Structure and Spectra of Molecules. Naukova Dumka Press, Kiev, 1969, 307 pp.
  
  
  
• Yu. A.Kruglyak, G.S.Gordadze et al. Numerical Computation of Molecular Integrals with Functions of Interelectronic Distance. Tbilisi University Press, 1971, 135 pp.
  
  

Selected publications in English:

• R.Gaspar, I.Tamassy-Lentei, Yu.A.Kruglyak. United-Atom Model for Molecules of the Type XHn. J. Chem. Phys., v. 36, N 3, 740 - 745 (1962)
  
  
  
• Yu.A.Kruglyak, D.R.Whitman. (Quantum Chemistry) Algorithms NN 108 - 111. Commun. Assoc. Computing Machin., v. 5, N 7, 388 - 394 (1962)
  
  
  
• Yu.A.Kruglyak, G.G.Dyadyusha. Torsion Barriers of End-Groups in Cumulenes. I. General Consideration. II. Results of Calculations and Discussion. Theoret. Chim. Acta [TCA], v. 10, 23 - 32; v. 12, 18 - 28 (1968)
  
  
  
• G.F.Kventzel, Yu.A.Kruglyak. Local Electronic States in Long Polyene Chains. TCA, v. 12, 1 - 17 (1968)
  
  
  
• V.I.Danilov, Yu.A.Kruglyak, V.I.Pechenaya. The Electron Density - Bond Orders Matrix and the Spin Density in Restricted Configuration Interaction Method. TCA, v. 13, 288 - 296 (1969)
  
  
  
• V.I.Danilov, Yu.A.Kruglyak, V.A.Kuprievich et al. Electronic Aspects of Photodimerization of the Pyrimidine Bases and of their Derivates. TCA, v. 14, 242 - 249 (1969)
  
  
  
• Yu.A.Kruglyak, E.V.Mozdor. Study of the Electronic Structure of Radicals by the CI Method. 2. Ground State of the Benzyl Radical. 3. Excited States of the Benzyl Radical. TCA, v. 15, 365 - 384 (1969)
  
  
  
• M.Farkas, Yu.A.Kruglyak. Hydrolysis of Acetylcholine Studied by a Quantum Chemical Method. Nature, v. 223, 523 - 524 (1969)
  
  
  
• Yu.A.Kruglyak, I.I.Ukrainsky. Study of the Electronic Structure of Alternant Radicals by the DODS Method. Intern.J.Quantum Chem.[IJQC], v. 4, 57 - 72 (1970)
  
  
  
• V.A.Kuprievich, Yu.A.Kruglyak, E.V.Mozdor. Full Configuration Interaction for Benzyl Radical. IJQC, v. 4, 73 - 87 (1970)
  
  
  
• V.A.Kuprievich, Yu.A.Kruglyak, E.V.Mozdor. The Configuration Interaction Method in the Second Quantization Representation. Croatica Chimica Acta[CCA], v. 43, N 1, 1 - 13 (1971)
  
  
  
• Yu.A.Kruglyak, E.V.Mozdor, V.A.Kuprievich. Study of Electronic Structure of Radicals by the CI Method. 1. Matrix Elements of the Physical Value Operators. CCA, v. 43, N 1, 15 - 22 (1971)
  
  
  
• D.A.Zhogolev, B.Kh.Bunyatyan, Yu.A.Kruglyak. Studies of Primary Hydrated Complexes of Li+, Na+, and K+ Ions by the Extended Huckel Method. Chem.Phys.Letters[CPL], v. 18, N 1, 135 - 139 (1973)
  
  
  
• E.S.Kryachko, Yu.A.Kruglyak. Reduction of Symmetric Group piN of Nuclei Transpositions Onto a Point Molecular Group G and Classification of Molecular States Taking Nuclear Spins into Account. Institute for Theoretical Physics Preprint[ITP Preprint] N 101, 1974, 10 pp.
  
  
  
• V.M.Pinchuk, Yu.A.Kruglyak, M.D.Dolgushin. Spatial and Electronic Structure of Complexes of Li+, Na+, Be++, Mg++ Ions with Molecules HF, H2O, and NH3 ab initio. ITP Preprint N 128, 1974, 20 pp.
  
  
  
• Yu.A.Kruglyak, E.S.Kryachko. Point Symmetry Properties of Fermion Reduced Density Matrices. ITP Preprint N 134, 1974, 13 pp.
  
  
  
• Yu.A.Kruglyak, E.S.Kryachko. On the Theory of Fermion Reduced Density Matrices. The N-Completeness Problem. ITP Preprint N 135, 1974, 11 pp.
  
  
  
• E.S.Kryachko, Yu.A.Kruglyak. Theory of the Fermion Reduced Matrices of an Arbitrary Rank. ITP Preprint N 162, 1974, 49 pp.
  
  
  
• V.V.Lobanov, M.M.Aleksankin, Yu.A.Kruglyak. Quantum Chemical Investigation of Molecule and Ion Behaviour in an Electric Field. II. Ethanal. Intern.J.Mass Spectrom.Ion.Physics, v. 18, 275 - 288 (1975)
  
  
  
• A.Pullman, C.Giessner-Prettre, Yu.A.Kruglyak. Cation Binding to "Crown" Ethers: an ab initio Model Study. CPL, v. 35, N 2, 446 - 449 (1975)
  
  
  
• E.S.Kryachko, Yu.A.Kruglyak. On the Solution of the N-Completeness Problem. IJQC, v. 10, 137 - 140 (1976)
  
  
  
• V.V.Rossikhin, E.O.Voronkov, Yu.A.Kruglyak. Determination of Potential Energy Surface of the Molecules in the Applied Field on the Basis of Virial Relations. IJQC, v. 17, 327 - 340 (1980)
  
  
  
• E.S.Kryachko, Yu.A.Kruglyak, B.J.Dalton. Nonrigidity Effects in Fragments of Membrane Active Complexons. IJQC, v. 17, 1229 - 1235 (1980)
  
  
  
• Yu.A.Kruglyak, M.E.Dochtmanov. Analytical Formulae for the Enumeration of Substitutional Isomers of Planar Molecules. J.Molecular Structure (TheoChem), v. 233, 13 - 20 (1991)
  
  
  
• Yu.A.Kruglyak, M.E.Dochtmanov. Coding System for Quasi-Polycyclic Structures. Ibid, v. 258, 199 - 208 (1992)
  
  
  
• Yu.A.Kruglyak, V.G.Zadorozhny New Thin Film Technology. Supercomputing Review / The Magazine of High-Perfomance Computing, v. 5, No.1, 78 (1992)
  
  
  
• V.V.Rossikhin, E.O.Voronkov, V.V.Kuz'menko, Yu.A.Kruglyak. Quantum Chemical Calculations of Infrared Intensities for Diatomics on the Basis of Virial Theorem. J.Phys.Chem., v. 100, 6359 - 6361 (1996)
  
  
  

© 1999-2001 Yuri Kruglyak Last updated May 30, 2001