Alexander Yu. Sokolov
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1 Alexander Yu. Sokolov Contact Information Address: Web: Curriculum Vitae Department of Chemistry & Biochemistry The Ohio State University 2108 Newman & Wolfrom Laboratory 100 W. 18th Ave Columbus, OH Professional Experience Current Assistant Professor 8/2017 The Ohio State University, Columbus, OH (USA) Department of Chemistry & Biochemistry 7/2016 8/2017 Postdoctoral Scholar California Institute of Technology, Pasadena, CA (USA) Advisor: Professor Garnet K.-L. Chan 8/2014 6/2016 Postdoctoral Research Associate Princeton University, Princeton, NJ (USA) Advisor: Professor Garnet K.-L. Chan Education Doctor of Philosophy University of Georgia, Center for Computational Quantum Chemistry, Athens, GA (USA) Advisor: Professor Henry F. Schaefer III Thesis: Development of density cumulant functional theory Specialist Degree (M.S.) St. Petersburg State University, St. Petersburg (Russia) Diploma with Distinction Major: Chemistry Advisor: Professor Olga V. Sizova Thesis: Valence structure analysis of heavy transition metal complexes with electronic configurations d 6, d 7, d 8, and d 10
2 Alexander Yu. Sokolov Page 2 Academic Awards 2016 American Chemical Society Physical Chemistry Division Postdoctoral Award 2015 IBM-Löwdin Award for Postdoctoral Associates, 55 th Sanibel Symposium, St. Simons Island, GA (USA) 2014 Martin Reynolds Smith Award, University of Georgia, Athens, GA (USA) 2013 Dissertation Completion Award, University of Georgia, Athens, GA (USA) 2013 Best Graduate Student Poster Award, 53 rd Sanibel Symposium, St. Simons Island, GA (USA) 2012 James L. Carmon Award, University of Georgia, Athens, GA (USA) 2009 Best Alumnus of St. Petersburg 2009 Award, St. Petersburg (Russia) Fellowships Charles Coulson Fellowship, Center for Computational Quantum Chemistry, Athens, GA (USA) Special Scholarship of the Government of Russian Federation (Russia) 5 8/2008 Summer Fellowship, Center for Computational Quantum Chemistry, Athens, GA (USA) Full Scholarship, St. Petersburg State University (Russia) Teaching Experience 2011, 2013 Advanced Quantum Chemistry (graduate-level course), Teaching Assistant, 2014 University of Georgia, Athens, GA (USA) 2011, 2012 Summer Undergraduate Fellowship Program, Instructor and Mentor, Center for Computational Quantum Chemistry, Athens, GA (USA) General Chemistry Laboratory I and II, Teaching Assistant, University of Georgia, Athens, GA (USA) 2008 General and Inorganic Chemistry, Teaching Assistant, St. Petersburg State University (Russia)
3 Alexander Yu. Sokolov Page 3 Invited Talks 07/2017 Workshop New Developments in Coupled-Cluster Theory, Telluride, CO (USA) 05/2017 Symposium Electronic Structure Theory, 100 th Canadian Chemistry Conference, Toronto (Canada) 04/2017 Symposium Strong Electron Correlation & Nonadiabatic Dynamics, 253 rd ACS National Meeting, San Francisco, CA (USA) 08/2016 Symposium Metal & Semiconductor Nanoclusters with Atomic Precision: Fundamentals & Applications, ACS Physical Chemistry Division Postdoctoral Award Talk, 252 nd ACS National Meeting, Philadelphia, PA (USA) 06/ th Molecular Quantum Mechanics (MQM) Congress, Uppsala University, Uppsala (Sweden) 03/2016 Symposium Towards Predictive Calculations in Strongly Correlated Molecules and Materials, 251 st ACS National Meeting, San Diego, CA (USA) 08/2015 Workshop on Quantum Marginals and Numerical Ranges, University of Guelph, Guelph (Canada) 05/2014 Annual Meeting of the Southeast Theoretical Chemistry Association (SETCA 2014), Atlanta, GA (USA) 09/2013 Quantum Mechanics in Many Dimensions, 246 th ACS National Meeting, Indianapolis, IN (USA) 07/2013 Ludwig-Maximilians-Universität (LMU), Munich (Germany) 06/2013 Max Planck Institut für Chemische Energiekonversion, Mülheim (Germany) 06/2013 Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, Bochum (Germany)
4 Alexander Yu. Sokolov Page 4 Scholarly Activities Reviewer for the following journals: Journal of Chemical Theory and Computation Journal of Chemical Physics Physical Chemistry Chemical Physics International Journal of Quantum Chemistry New Journal of Chemistry Acta Physica Polonica A Professional Societies American Chemical Society Publications [1] A. Yu. Sokolov, S. Guo, E. Ronca, and G. K.-L. Chan. Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium dimer and all-trans polyenes. J. Chem. Phys. 146, (2017). [2] X. Wang, A. Yu. Sokolov, J. M. Turney, and H. F. Schaefer. Spin-adapted formulation and implementation of density cumulant functional theory with density-fitting approximation: Application to transition metal compounds. J. Chem. Theory Comput. 12, (2016). [3] A. Yu. Sokolov and G. K.-L. Chan. A time-dependent formulation of multi-reference perturbation theory. J. Chem. Phys. 144, (2016). (Highlight: JCP 2016 Editors Choice article). [4] J. W. Mullinax, A. Yu. Sokolov, and H. F. Schaefer. Can density cumulant functional theory describe static correlation effects? J. Chem. Theory Comput. 11, (2015). [5] A. Yu. Sokolov and G. K.-L. Chan. A transformed framework for dynamic correlation in multireference problems. J. Chem. Phys. 142, (2015). [6] A. Yu. Sokolov, H. F. Schaefer, and W. Kutzelnigg. Density cumulant functional theory from a unitary transformation: N-representability, three-particle correlation effects, and application to O + 4. J. Chem. Phys. 141, (2014). [7] J. W. Mullinax, A. Yu. Sokolov, and H. F. Schaefer. Conical intersections and lowlying electronic states of tetrafluoroethylene. ChemPhysChem 15, (2014).
5 Alexander Yu. Sokolov Page 5 [8] A. V. Copan, A. Yu. Sokolov, and H. F. Schaefer. Benchmark study of density cumulant functional theory: thermochemistry and kinetics. J. Chem. Theory Comput. 10, (2014). [9] A. Yu. Sokolov and H. F. Schaefer. Orbital-optimized density cumulant functional theory. J. Chem. Phys. 139, (2013). [10] A. Yu. Sokolov, D. B. Magers, J. I. Wu, W. D. Allen, P. v. R. Schleyer, and H. F. Schaefer. Free cyclooctatetraene dianion: planarity, aromaticity, and theoretical challenges. J. Chem. Theory Comput. 9, (2013). [11] Y. Qiu, A. Yu. Sokolov, Y. Yamaguchi, and H. F. Schaefer. BeCH 2 : the simplest metal carbene. High levels of theory. J. Phys. Chem. A 117, (2013). [12] S. Vogt-Geisse, A. Yu. Sokolov, S. R. McNew, Y. Yamaguchi, and H. F. Schaefer. Structures and transition states of Ge 2 CH 2. J. Phys. Chem. A 117, (2013). [13] A. Yu. Sokolov, A. C. Simmonett, and H. F. Schaefer, III. Density cumulant functional theory: the DC-12 method, an improved description of the one-particle density matrix. J. Chem. Phys. 138, (2013). [14] A. Yu. Sokolov, S. Mittal, A. C. Simmonett, and H. F. Schaefer III. Characterization of the t-butyl radical and its elusive anion. J. Chem. Theory Comput. 8, (2012). [15] A. Yu. Sokolov, J. J. Wilke, A. C. Simmonett, and H. F. Schaefer III. Analytic gradients for density cumulant functional theory: the DCFT-06 model. J. Chem. Phys. 137, (2012). [16] A. Yu. Sokolov and H. F. Schaefer III. Ground and excited state properties of photoactive platinum(iv) diazido complexes: theoretical considerations. Dalton Trans. 40, (2011). [17] A. Yu. Sokolov and H. F. Schaefer III. Coordination properties of bridging diazene ligands in unusual diiron complexes. Organometallics 29, (2010). [18] A. Yu. Sokolov and O. V. Sizova. Quantum-chemical study of trans-influence in gold(i) linear complexes. Russ. J. Gen. Chem. 80, (2010). [19] V. V. Pakal nis, A. Yu. Sokolov, A. A. Slisenko, M. E. Borovitov, S. P. Tunik, and O. V. Sizova. Synthesis and spectral characteristics of a novel heterometallic binuclear complex on the basis of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine. Russ. J. Gen. Chem. 79, (2009). [20] O. V. Sizova, L. V. Skripnikov, A. Yu. Sokolov, and V. V. Sizov. Atomic-orbitalsymmetry based σ-, π-, and δ-decomposition analysis of bond orders. Int. J. Quant. Chem. 109, (2009). [21] O. V. Sizova, L. V. Skripnikov, and A. Yu. Sokolov. Calculation of σ-, π-, and δ-components of quantum-chemical bond orders. Russ. J. Gen. Chem. 78, (2008).
6 Alexander Yu. Sokolov Page 6 [22] O. V. Sizova, L. V. Skripnikov, and A. Yu. Sokolov. Symmetry decomposition of quantum-chemical bond orders. J. Mol. Struct. (THEOCHEM) 870, 1 9 (2008). [23] A. Yu. Sokolov, N. J. Stibrich, and H. F. Schaefer III. BO 3 molecular structures: examples of the importance of electron correlation. Coll. Czech. Chem. Commun. 73, (2008). [24] O. V. Sizova, A. Yu. Sokolov, and L. V. Skripnikov. Quantum-chemical study of donor-acceptor interactions in chelate dicarbonyl complexes of rhodium(i). Russ. J. Coord. Chem. 33, (2007). [25] O. V. Sizova, A. Yu. Sokolov, L. V. Skripnikov, and V. I. Baranovski. Quantum chemical study of the bond orders in the ruthenium, diruthenium and dirhodium nitrosyl complexes. Polyhedron 26, (2007). [26] O. V. Sizova, L. V. Skripnikov, A. Yu. Sokolov, and N. V. Ivanova. Rhodium and ruthenium tetracarboxylate nitrosyl complexes: electronic structure and metal-metal bond. Russ. J. Coord. Chem. 33, (2007). [27] O. V. Sizova, L. V. Skripnikov, A. Yu. Sokolov, and O. O. Lyubimova. Features of the electronic structure of ruthenium tetracarboxylates with axially coordinated nitric oxide (II). J. Struct. Chem. 48, (2007).
Alexander Yu. Sokolov
Alexander Yu. Sokolov Contact Information Curriculum Vitae Address: Department of Chemistry & Biochemistry The Ohio State University 2108 Newman & Wolfrom Laboratory 100 W. 18th Ave Columbus, OH 43210
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