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Arteum Bochevarov
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Group Position: Graduate student
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Currently: Senior Scientist, Schrodinger Inc.
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Educational Background
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- M.S. in Chemistry, Kharkiv National University, Ukraine, 2001
- Ph.D. in Chemistry, Georgia Institute of Technology, 2006
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Master's Thesis
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Quantum-chemical Estimation of Dispersion Forces Which Determine The Stability of Aqueous Colloids of Buckminstenfullerene, 2001
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PhD. Thesis
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Hybrid Correlation Models for Bond Breaking Based on Active Space Partitioning, 2006
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Awards
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Finalist, House-Flaschka-Ashby Graduate Student Awards Symposium, School of Chemistry and Biochemistry, Georgia Institute of Technology, 2005
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Research Interests
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Hybrid methods in quantum chemistry. Algebraic structure of quantum-chemical models. Diagrammatic techniques and their application in chemistry.
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Representative Publications
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``The Densities Produced by the Density Functional Theory: Comparison to Full Configuration Interaction,'' A. D. Bochevarov and R. A. Friesner, J. Chem. Phys. 128, 034102 (2008)
``Some Simple Results Following From Löwdin's Partitioning Techique,'' A. D. Bochevarov and C. D. Sherrill, J. Math. Chem. 42, 59-64 (2007)
``Hybrid Correlation Models Based On Active-space Partitioning: Seeking Accurate O(N5) Ab Initio Methods for Bond Breaking,'' A. D. Bochevarov, B. Temelso, and C. D. Sherrill, J. Chem. Phys. 125, 054109 (2006)
(PDF Full Text)
``Hybrid Correlation Models Based On Active-space Partitioning: Correcting Second-order Møller-Plesset Perturbation Theory For Bond-breaking Reactions,'' A. D. Bochevarov and C. D. Sherrill, J. Chem. Phys. 122, 234110 (2005)
(PDF Full Text)
``A General Diagrammatic Algorithm for Contraction and Subsequent Simplification of Second-Quantized Expressions,'' A. D. Bochevarov and C. D. Sherrill, J. Chem. Phys. 121, 3374-3383 (2004)
(PDF Full Text)
``The Electron and Nuclear Orbitals Model: Current Challenges and Future Prospects,'' A. D. Bochevarov, E. F. Valeev, and C. D. Sherrill, Mol. Phys. 102, 111-123 (2004)
(Abstract)
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