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Arteum Bochevarov

Group Position: Graduate student

Currently: Senior Scientist, Schrodinger Inc.

Office:	Phone:
Mailing Address:	Fax:
Havemeyer Hall	E-mail: art.bochevarov@schrodinger.com
3000 Broadway, Mail Code 3136	Personal Page: Link
New York, NY 10027

Educational Background

M.S. in Chemistry, Kharkiv National University, Ukraine, 2001
Ph.D. in Chemistry, Georgia Institute of Technology, 2006

Master's Thesis

Quantum-chemical Estimation of Dispersion Forces Which Determine The Stability of Aqueous Colloids of Buckminstenfullerene, 2001

PhD. Thesis

Hybrid Correlation Models for Bond Breaking Based on Active Space Partitioning, 2006

Awards

Finalist, House-Flaschka-Ashby Graduate Student Awards Symposium, School of Chemistry and Biochemistry, Georgia Institute of Technology, 2005

Research Interests

Hybrid methods in quantum chemistry. Algebraic structure of quantum-chemical models. Diagrammatic techniques and their application in chemistry.

Representative Publications

``Jaguar: A High-performance Quantum Chemistry Software Program with Strengths in Life and Materials Sciences,'' A. D. Bochevarov, E. Harder, T. F. Hughes, J. R. Greenwood, D. A. Braden, D. M. Philipp, D. Rinaldo, M. D. Halls, J. Zhang, and R. A. Friesner, Int. J. Quantum Chem. 113, 2110-2142 (2013) (doi: 10.1002/qua.24481)

``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) (doi: 10.1007/s10910-006-9097-6)

``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) (doi: 10.1063/1.2222350)

``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) (doi: 10.1063/1.1935508)

``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) (doi: 10.1063/1.1774977)

``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) (doi: 10.1080/00268970410001668525)