Dr. Anatoliy Volkov

Professor

Dr. Anatoliy Volkov
615-494-8655
Room 3127, Science Building (SCI)
MTSU Box 68, Murfreesboro, TN 37132

Degree Information

  • MS, Saint Petersburg State University (2001)
  • PHD, SUNY University at Buffalo (2000)
  • BSG, Saint Petersburg State University (1995)

Areas of Expertise

Physical Chemistry, Computational Science, Crystallography, Geology/Geochemistry/Mineralogy

Biography

I earned a B.S. and an M.S. in Geology with specialization in Geochemistry, Mineralogy, and Crystallography from St. Petersburg State University (Russia) and a Ph.D. in Physical and Computational Chemistry from the University at Buffalo, State University of New York (USA).

I began my teaching career when I joined MTSU in 2007. Most of the time, I teach undergraduate Physical Chemistry Fundamentals I and II lectures and laboratories (

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I earned a B.S. and an M.S. in Geology with specialization in Geochemistry, Mineralogy, and Crystallography from St. Petersburg State University (Russia) and a Ph.D. in Physical and Computational Chemistry from the University at Buffalo, State University of New York (USA).

I began my teaching career when I joined MTSU in 2007. Most of the time, I teach undergraduate Physical Chemistry Fundamentals I and II lectures and laboratories (CHEM 4330, CHEM 4331, CHEM 4340, CHEM 4341), and coordinate Physical Chemistry Laboratories (CHEM 4331). I am also a graduate faculty and a member of the MTSU Computational Science Ph.D. program, where I teach the Applied Computational Science course (COMS 7100). My work at MTSU has been recognized by the MTSU Foundation's 2009 Special Projects and 2016 Outstanding Achievement in Instructional Technology awards, and I have been cited by graduating senior students as a "person at MTSU who makes a real difference to [the] students" in 2009, 2016, 2017, 2019 and 2021.

My area of expertise includes theoretical quantum-mechanical and experimental X-ray diffraction studies of chemical bonding in molecules and crystals. Over my academic career, I have authored and co-authored over 40 research manuscripts published in peer-reviewed journals including the Journal of the American Chemical Society, Angewandte Chemie, Proceedings of the National Academy of Sciences of the United States of America, Journal of Colloid and Interface Science, Acta Crystallographica Section D: Biological Crystallography, Journal of Chemical Theory and Computation, Chemistry - A European Journal, Inorganic Chemistry , Journal of Computational Chemistry, Journal of Applied Crystallography, Journal of Physical Chemistry B, Journal of Physical Chemistry A, Journal of Synchrotron Radiation, Journal of Molecular Graphics and Modelling, Chemical Physics Letters, Acta Crystallographica Section A: Foundations and Advances, and Journal of Molecular Structure: THEOCHEM. Two of the manuscripts (2009 Acta Cryst D, and 2001 Acta Cryst A) were highlighted in the IUCr Newsletter which is the magazine of the International Union of Crystallography, while the 2019 Acta Cryst A paper was highlighted on the Acta Crystallographica Section A website. In addition, I have co-authored two book chapters. 

I have delivered several invited talks at international professional meetings, conferences, and workshops including a) Synchrotron Charge Density School, Center for Advanced Radiation Sources of the University of Chicago, Advanced Photon Source, Argonne National Laboratory, IL, USA; b) XXI Congress and General Assembly of the International Union of Crystallography in Osaka, Japan; c) Workshop on Intermolecular Interactions: New Challenges for ab initio Theory, Telluride, CO, USA, d) Gordon Research Conference on Electron Distribution & Chemical Bonding, Mount Holyoke College, South Hadley, MA, USA, and e) 19th European Crystallographic Meeting, Nancy, France. In 2016, I delivered an invited guest lecture in the Department of Chemistry and Chemical Biology at Harvard University, Cambridge, MA, offered as part of their Practical Crystallography in Chemistry & Materials Science course.

In 2007, I was invited to be the leading instructor and tutorial author at the Charge Density Refinement Workshop at the Bruker-AXS / MIT Symposium on the Extreme Diffraction Data - The Cutting Edge of Structure Determination at Massachusetts Institute of Technology, Cambridge, MA. In 2003, I delivered a series of lectures and was one of the leading instructors at the workshop on Advanced Methods in X-ray Diffraction Analysis at the University at Buffalo, Buffalo, NY.

I am one of the developers of XD - a Computer Program Package for Multipole Refinement, Topological Analysis of Charge Densities and Evaluation of Intermolecular Energies from Experimental and Theoretical Structure Factors, that has been distributed to more than 150 laboratories worldwide. 

My code DenProp, a computer program for quantum-chemical density analysis published in 2009 in the Journal of Computational Chemistry, has been requested by more than 35 researchers from 17 countries: Australia, Canada, Czech Republic, Denmark, Finland, France, Germany, India, Iran, Israel, Italy, Russia, Spain, Switzerland, Taiwan, United Kingdom, and the USA.  Several requests came from the leading research universities, institutes, and laboratories in the world including University of Cambridge (UK), Argonne National Lab (USA), University of Sydney (Australia), Aarhus University (Denmark), Emory University (USA), University of Göttingen (Germany), Free University of Berlin (Germany), University of Freiburg (Germany), University of Bern (Switzerland), National Taiwan University (Taiwan), and Cardiff University (UK). Google Scholar shows about 40 citations for the original DenProp paper

In recent years, my research interests extend to developing state-of-the-art stereoscopic 3D visualization teaching technologies and methods to improve spatial skills and content learning. The potential exists for the techniques that we develop to improve learning in a wide range of courses and disciplines, including architecture, astronomy, biology, chemistry, computer science, engineering, mathematics, medicine, and physics. 

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Publications

PEER-REVIEWED ARTICLES (*denotes graduate students):  

44.  “On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model. II. Evaluation of the properties in an infinite crystal”, *Weatherly, J.; Macchi, P.;  Volkov, A. Acta Crystallogr. A 2021, 77, 399-419.

43.  “Fast analytical evaluation of intermolecular electrost...

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PEER-REVIEWED ARTICLES (*denotes graduate students):  

44.  “On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model. II. Evaluation of the properties in an infinite crystal”, *Weatherly, J.; Macchi, P.;  Volkov, A. Acta Crystallogr. A 2021, 77, 399-419.

43.  “Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. III. Application to crystal structures via the Ewald and direct summation methods”, *Nguyen, D.; Macchi, P.; Volkov, A. Acta Crystallogr. A 2020, 76, 630-651.

42.   “Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. II. The Fourier transform method”, *Nguyen, D.; Volkov, A. Acta Crystallogr. A 2019, 75, 448-464.

41.   “From the source: student-centred guest lecturing in a chemical crystallography class”, Zheng, S.-L.; Chen, Y.-S.; Wang, X.; Hoffmann, C.; Volkov, A. J. Applied. Crystallogr. 2018, 51, 909-914.

40.   “Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. I. The Löwdin a-function method”, *Nguyen, D.; Kisiel, Z; Volkov, A. Acta Crystallogr. A 2018, 74, 524-536.

39.   “Volume-rendering on a 3D hyperwall: A molecular visualization platform for research, education and outreach”, MacDougall P. J.; Henze C. E, Volkov A. J Mol Graph Model. 2016, 70, 1-6.

38.   "Density- and wavefunction-normalized Cartesian spherical harmonics for l ≤ 20" *Michael, J. R., Volkov, A. Acta Crystallogr. A 2015, 71, 245-249.

37.   “Comparing N-acetylcysteine (NAC) and N-acetylcysteine Amide (NACA) Coordination to Aqueous Pb(II)” Chen, W.; Ercal, N.; Huynh, T.; Volkov, A.; Chusuei, C. C. J. Journal of Colloid and Interface Science 2012, 371, 144.

36.   "Charge density analysis of the (C–C)→Ti agostic interactions in a titanacyclobutane complex", Scheins, S.; Messerschmidt, M.; Gembicky, M.; Pitak, M.; Volkov, A.; Coppens, P.; Harvey, B. G.; Turpin, G. C.; Arif, A. M.; Ernst, R. D., J. Am. Chem. Soc. 2009, 131, 6154–6160.

35.   “Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme-substrate complex: influenza neuraminidase inhibition”, Dominiak, P. M.; Volkov, A.; Dominiak, A. P.; Jarzembska, K. N.; Coppens, P. Acta Crystallogr. D 2009, 65, 485-499.  *This article was highlighted in the IUCr newsletter vol. 17(2) 2009.

34.   “On the Basis-set Dependence of Local and Integrated Electron Density Properties: Application of a new Computer Program for Quantum-Chemical Density Analysis”, Volkov, A.; Koritsanszky, T., Chodkiewicz, M.; King, H. F. J. Comput. Chem. 2009, 30, 1379-1391.

33.   “Supramolecular Solids as a Medium for Single-Crystal-to-Single-Crystal E/Z-Photoisomerization: Kinetic Study of the Photoreactions of two Zn Coordinated Tiglic Acid Molecules” Zheng, S.-L.; Vande Velde, C. M. L.; Messerschmidt, M.; Volkov, A.; Gembicky M.; Coppens, P. Chem. Eur. J. 2008, 14, 706-713.

32.    “The Nature of the Ag(I)…Ag(I) Interaction in Different Ag(NH3)2 Dimers Embedded in Supramolecular Solids” Zheng, S.-L.; Volkov, A.; Nygren, C. L.; Coppens, P. Chem. Eur. J. 2007, 15, 8583-8590.

31.    Novel Approaches to the Experimental Charge Density of Vitamin B12. Dittrich, B.; Koritsanszky, T.; Volkov, A.; Mebs, S.; Luger, P. Angew. Chem. Int. Ed. 2007, 46, 2935-2938.

30.    “Response to Spackman’s comment on On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model”, Volkov, A.; Coppens, P. Acta Crystallogr. A 2007, 63, 201-203.

29.    “Improving the Scattering Factor Formalism in Protein Refinement. Application of the University at Buffalo Aspherical-Atom Databank to Polypeptide Structures”, Volkov, A.; Messerschmidt, M.; Coppens, P. Acta Crystallogr. D 2007, 63, 160-170.

28.    “A Theoretical Databank of Transferable Aspherical Atoms and its Application to Electrostatic Interaction Energy Calculations of Macromolecules”, Dominiak, P. M.; Volkov, A.; Li,  X.; Messerschmidt, M.; Coppens, P. J. Chem. Theory Comput. 2007, 3, 232-247.

27.    “On the Calculation of the Electrostatic Potential, Electric Field and Electric Field Gradient from the Aspherical Pseudoatom Model”, Volkov, A. V.; King, H. F.; Coppens, P.; Farrugia, L. J. Acta Crystallogr. A 2006, 62, 400-408.

26.    “Interaction energies between glycopeptide antibiotics and substrates in complexes determined by X-ray crystallography: Application of a theoretical databank of aspherical atoms and a symmetry-adapted perturbation theory-based set of interatomic potentials”, Li, Xue; Volkov, A.V.; Szalewicz, K.; Coppens, P. Acta Crystallogr. D 2006, 62, 639-647.

25.    “Dependence of the intermolecular electrostatic interaction energy on the level of theory and the basis set”, Volkov, A.V.; King, H.F.; Coppens, P. J. Chem. Theory Comput. 2006, 2, 81-89.

24.    “Response to the paper ‘A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules’, by Pichon-Pesme, Jelsch, Guillot & Lecomte (2004)”, Volkov, A.V.; Koritsanszky, T.; Li, X.; Coppens, P. Acta Crystallogr. A 2004, 60, 638-639.

23.    “The interplay between experiment and theory in charge density analysis”, Coppens, P.; Volkov, A.V. Acta Crystallogr. A 2004, 60, 357-364.

22.    “Combination of the Exact Potential and Multipole Methods (EP/MM) for evaluation of intermolecular electrostatic interaction energies with pseudoatom representations of molecular electron densities”, Volkov, A.V.; Koritsanszky, T.S.; Coppens, P. Chem. Phys. Lett. 2004, 391, 170-175.

21.    “Ab initio quality electrostatic atomic and molecular properties including intermolecular energies from a transferable theoretical pseudoatom databank”, Volkov, A.V.; Li, X.; Koritsanszky, T.; Coppens, P. J. Phys. Chem. A 2004, 108, 4283-4300.

20.    “On the nature of the lowest triplet excited state of the [Rh2(1,3-diisocyanopropane)4]2+ ion”, Novozhilova, I.V.; Volkov, A.V.; Coppens, P. Inorg. Chem. 2004, 43, 2299-2307.

19.    “On the calculation of electrostatic interaction energies in molecular dimers from atomic multipole moments obtained by different methods of electron density partitioning”, Volkov, A.V; Coppens, P. J. Comput. Chem. 2004, 25, 921-934.

18.    “Atomic density radial functions from molecular densities”, Koritsanszky, T.S.; Volkov, A.V. Chem. Phys. Lett. 2004, 385, 431-434.

17.    “Theoretical analysis of the triplet excited state of the [Pt2(H2P2O5)4]4- ion and comparison with time-resolved X-ray and spectroscopic results”, Novozhilova, I.; Volkov, A.V.; Coppens, P. J. Am. Chem. Soc. 2003, 125, 1079-1087.

16.    “Application of charge density methods to a protein model compound: calculation of coulombic intermolecular interaction energies from the experimental charge density”, Li, X.; Wu, G.; Abramov, Yu.A.; Volkov, A.V.; Coppens, P. Proc. Nat. Acad. Sci. 2002, 99, 12132-12137.

15.    “Aspherical-atom scattering factors from molecular wave functions. 1. Transferability and conformation dependence of atomic electron densities of peptides within the multipole formalism”, Koritsanszky, T.S.; Volkov, A.V.; Coppens, P. Acta Crystallogr. A 2002, 58, 464-472.

14.    “Critical examination of the radial functions in the Hansen-Coppens multipole model through topological analysis of primary and refined theoretical densities”, Volkov, A.; Coppens, P. Acta Crystallogr. A 2001, 57, 395-405. *This article was highlighted in the IUCr newsletter vol. 9(2) 2001.

13.    “Density optimized radial exponents for X-ray charge density refinement from ab initio crystal calculations”, Volkov, A.; Abramov, Yu. A.; Coppens, P. Acta Crystallogr. A 2001, 57, 272-282.

12.    “The experimental charge density approach in the evaluation of intermolecular interactions. Application of a new module of the XD programming package to several solids including a pentapeptide”, Abramov, Yu. A.; Volkov, A.; Wu, G.; Coppens, P. Acta Crystallogr. A 2000, 56, 585-591.

11.    “Experimental, Hartree-Fock and Density Functional Theory investigations of the charge density, dipole moment, electrostatic potential and electric field gradients in L-asparagine monohydrate”, Arnold, W.; Sanders, L.K.; McMahon, M.T.; Volkov, A.V.; Wu, G.; Coppens, P.; Wilson, S.R.; Godbout, N.; Oldfield, E. J. Am. Chem. Soc. 2000, 122, 4708-4717.

10.    “On the origin of topological differences between experimental and theoretical crystal charge densities”, Volkov, A.; Abramov, Yu. A.; Gatti, C.; Coppens, P. Acta Crystallogr. A 2000, 56, 332-339.

9.      “Evaluation of net atomic charges and atomic and molecular electrostatic moments through topological analysis of experimental charge densities”, Volkov, A.; Gatti, C.; Abramov, Yu. A.; Coppens, P. Acta Crystallogr. A 2000, 56, 252-258.

8.      “Anisotropic atom-atom potentials from X-ray charge densities: application to intermolecular interactions and lattice energies in some biological and nonlinear optical materials”, Abramov, Yu. A.; Volkov, A.; Coppens, P. J. Molecular Structure (Theochem) 2000, 529, 27-35.

7.      “The use of X-ray charge density in the calculation of intermolecular interactions and lattice energies: application to glycylglycine, DL-histidine and DL-proline and comparison with theory”, Abramov, Yu. A.; Volkov, A.; Wu, G.; Coppens, P. J. Phys. Chem. B 2000, 104, 2183-2188.

6.      “On the errors in molecular dipole moments derived from accurate diffraction data”, Coppens, P.; Volkov, A.; Abramov, Yu. A. Acta Crystallogr. A 1999, 55, 965-967.

5.      “On the evaluation of molecular dipole moments from multipole refinement of X-ray diffraction data”, Abramov, Yu. A.; Volkov, A.; Coppens, P. Chem. Phys. Lett. 1999, 311, 81-86.

4.      “X-ray charge density study of p-amino-p’-nitrobiphenyl at 20°K using a CCD area detector and synchrotron radiation: a very large dipole moment enhancement in the solid state”, Volkov, A.; Wu, G.; Coppens, P. J. Synchr. Rad. 1999, 6, 1007-1015.

3.      “The cholic acid-methanol-water inclusion complex”, Volkov, A.; Huizhe, Z.; Shuncheng, L.; White, M. A.; Coppens, P. Acta Crystallogr. C 1998, 54, 7.

2.      “Isomorphism and conditions of growth of carbonatapatites”, Volkov, A. V.; Kol'tsov, A. B.; Frank-Kamenetskaya, O. V.; Kaminskaya, T. N.; Zorina, M. L.; Krei'tser, U. L. Spectroscopy, X-ray analysis and Crystal Chemistry of Minerals 1997, 185-191 (in Russian).

1.      “Isomorphism and conditions of growth of carbonatapatites”, Volkov, A. V.; Kol'tsov, A. B.; Frank-Kamenetskaya, O. V.; Kaminskaya, T. N.; Zorina, M. L.; Krei'tser, U. L. Proceedings of the International Conference on Spectroscopy, X-ray analysis and Crystal Chemistry of Minerals 1997, 18-20 (in Russian).

 

BOOK CHAPTERS:  

2.       "New Directions in Pseudoatom-Based X-ray Charge Density Analysis" Koritsanszky, T.; Volkov, A.; Chodkiewicz, M. in “Electron Density and Chemical Bonding II” within “Structure and Bonding” series, Springer, 2012, Volume 147, 1-16.

1.         “The use of synchrotron radiation in chemical crystallography: charge density analysis, resonance diffraction and study of transient species”, Coppens, P.; Wu, G.; Volkov, A.; Abramov, Yu.; Zhang, Y.; Fullagar, F.; Ribaud, L. in Transactions of the American Crystallographic Association, 2000, Volume 35, 51-64.

 

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Presentations

INVITED TALKS AND LECTURES  

Harvard University, Department of Chemistry & Chemical Biology; Guest lecture offered as part of the Chem255/Practical Crystallography in Chemistry & Materials Science course, April 21, 2016: “Introduction to the X-ray charge (electron) density modelling", A. Volkov

Synchrotron Charge Density School, Center for Advanced Radiation Sources of the Un...

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INVITED TALKS AND LECTURES  

Harvard University, Department of Chemistry & Chemical Biology; Guest lecture offered as part of the Chem255/Practical Crystallography in Chemistry & Materials Science course, April 21, 2016: “Introduction to the X-ray charge (electron) density modelling", A. Volkov

Synchrotron Charge Density School, Center for Advanced Radiation Sources of the University of Chicago, Advanced Photon Source, Argonne National Laboratory, March 9-15, 2013: “On the comparison of experimental and theoretical electron densities”, A. Volkov, and “DenProp - a Computer Program for Quantum-Chemical Density Analysis”, A. Volkov, H. F. King, J. R. Michael, T. Koritsanszky.   

XXI Congress and General Assembly of the International Union of Crystallography, Osaka, Japan, August 23-31, 2008: “On the evaluation of energy densities with aspherical pseudoatoms: a model study”. A. Volkov and T. Koritsanszky

Intermolecular Interactions: New Challenges for ab initio Theory, Telluride, CO, June 25 – July 2, 2006: “Intermolecular atom-atom potentials from the Symmetry-Adapted Perturbation Theory”, A. Volkov.

2004 Gordon Research Conference on Electron Distribution & Chemical Bonding, Mount Holyoke College, South Hadley, MA, July 4-9, 2004: “Electrostatic properties of molecules built from the theoretical pseudoatom databank”, A. Volkov

19th European Crystallographic Meeting, Nancy, France, August 25-31, 2000: “Application of the Theory of Atoms in Molecules in the critical analysis of the experimental charge density model”, A. Volkov, Yu. Abramov, P. Coppens

1999 American Crystallographic Association Annual Meeting, Buffalo, NY, USA, May 22-27, 1999: “The Seed-skewness method as an alternative approach for integration of an area detector data”, A. Volkov, P. Coppens, M. Carducci.

PRESENTATIONS AT WORKSHOPS AND SEMINARS  

Lecturer and Instructor at the Synchrotron Charge Density School, Center for Advanced Radiation Sources of the University of Chicago, Advanced Photon Source, Argonne National Laboratory, March 9-15, 2013

Lecture “Electron density and chemical bonding studies. Part I. Electrostatic interactions in molecular crystals”, Computational Science PhD Program Research Seminar, MTSU, September 27, 2010

Invited Leading Instructor and the Tutorial Author at the Charge Density Refinement Workshop at the Bruker-AXS / MIT Symposium 2007 on the Extreme Diffraction Data - The Cutting Edge of Structure Determination, Massachusetts Institute of Technology (MIT), Cambridge, MA, USA, February 9-11, 2007.

Co-organizer, Lecturer and Instructor at the Workshop on the Advanced Methods in X-ray Diffraction Analysis: the XD Programming Package, University at Buffalo, Buffalo, NY, USA, May 12-17, 2003. Other organizers (in alphabetical order): Prof. Philip Coppens (USA), Prof. Tibor Koritsanszky (USA), Dr. Piero Macchi (Italy).

CONTRIBUTIONS  

71st Annual Meeting of the American Crystallographic Association, Virtual due to COVID-19, August 1, 2021: "Evaluation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model in an infinite crystal", J. Weatherly, P. Macchi and A. Volkov (poster)

2021 MTSU Scholars Week, Middle Tennessee State University, Murfreesboro, TN, United States, April 16, 2021: "Relativistic Analytical Wave Functions For Neutral Atoms from the Dirac-Hartree-Fock Calculations", S. Olukayode and A. Volkov (poster)

2018 American Crystallographic Association Annual Meeting, Toronto, Canada, July 20-24, 2018: “Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density”, D. Nguyen and A. Volkov (poster)

2018 MTSU Scholars Week, Middle Tennessee State University, Murfreesboro, TN, United States, March 19 – 23, 2018: “Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density”, D. Nguyen and A. Volkov (poster)

10th Annual Tennessee STEM Education Conference, Murfreesboro, TN, United States, February 10-11, 2016: “A 3D Mini-Hyperwall for Teaching” T. Cheatham, A. Volkov, A. Friedli, E. Oslund, J. Hunter and A. Phelps (talk)

9th Annual Tennessee STEM Education Conference, Murfreesboro, TN, United States, February 5-6, 2015: “Investigating 3D Visualization and Learning in Chemistry” A. C. Friedli, A. Volkov, L. Martin and T. Cheatham (talk)

246th American Chemical Society National Meeting, Indianapolis, Indiana, United States, September 8-12, 2013: "Complete topology of the water molecule revisited", W. H. Ilsley (presenting author) and A. Volkov (poster)

6th European Charge Density Meeting (ECDM6), Štrbské Pleso, Slovakia, September 15-20, 2012: “Charge density refinements using ‘ab initio’ presudoatoms” T. Koritsanszky and A. Volkov (invited lecture)

6th European Charge Density Meeting (ECDM6), Štrbské Pleso, Slovakia, September 15-20, 2012: “Direct Space Reconstruction of Electron Density” J. R. Michael, T. Koritsanszky and A. Volkov (poster)

243rd American Chemical Society National Meeting & Exposition, San Diego, CA, United States, March 25-29, 2012: “Volume-rendering in tandem with hyperwall technology for a new molecular visualization-based platform for novel antibiotic design" H. Yang, Y. Moskovitz, T. Koritsanszky, A. Volkov, P. J. MacDougall (talk)

20th Anniversary Conference on Current Trends in Computational Chemistry (CCTCC), Jackson, MS, United States, October 27-29, 2011: “Development of a Fleshed-out Antibiotic Pharmacophore with Subatomic Resolution”, H. Yang, Y. Moskovitz, T. Koritsanszky, A. Volkov and P. J. MacDougall (poster)

2009 American Crystallographic Association Annual Meeting, Toronto, Canada, July 25-30, 2009: “Charge Density Study of Agostic (C-C)→Ti Interactions in Ti(C5H4Me)2(CH2)2CMe2.” S. Scheins, M. Pitak, M. Messerschmidt, M. Gembicky, G. C. Turpin, B. G. Harvey, A. M. Arif, A. Volkov, R. D. Ernst and P. Coppens. (poster)

60th Southeastern Regional Meeting (SERMACS), Nashville, TN, United States, November 12-15, 2008: “On the Basis-Set Dependence of Local and Integrated Electron Density Properties: Application of a New Computer Program for Quantum-Chemical Density Analysis” A. Volkov and T. Koritsanszky (poster)

2008 Molecular Informatics and Bioinformatics International Symposium; Collegium Budapest - Institute for Advanced Study, Hungary, March 27-29, 2008: “Accurate Estimation of Electrostatic Properties of Bio-Macromolecues” T. Koritsanszky and A. Volkov (invited talk)

2008 MTSU Scholars Week, Middle Tennessee State University, Murfreesboro, TN, United States, March 31–April 4, 2008 “On atomic Representation of Molecular Electronic Properties” M. Chodkiewicz, A. Volkov and T. Koritsanszky (poster)

2007 American Crystallographic Association Annual Meeting, 2007 Salt Lake City, UT, United States, July 21-26, 2007: “From Macromolecular Crystal Structure to Reliable Electrostatic Interactions” P. Coppens (presenter), P. M. Dominiak, A. Volkov, M. Messerschmidt (poster)

Sagamore XV Conference on Electron Charge Spin and Momentum Densities, Warwickshire, United Kingdom, August 13-18, 2006: “The XD2006 software package for charge density analysis” P. Macchi, A. Volkov, L. J. Farrugia, T. Koritsanszky, C. Gatti (poster)

2003 American Crystallographic Association Annual Meeting, Cincinnati, Ohio, United States, July 26-31, 2003: “A database of theoretical aspherical atom electron density parameters for electrostatic analysis of macromolecules” X. Li, A. Volkov and P. Coppens (poster)

Sagamore XIV Conference on Electron Charge Spin and Momentum Densities, Broome, Australia, August 13-18, 2003: “Pseudoatom radial functions from theoretical molecular densities” T. Koritsanszky and A. Volkov (invited talk)

2001 Gordon Research Conference on Electron Distribution & Chemical Bonding, South Hadley, MA, United States, July 8-13, 2001: “Molecular dipole moment of p-nitroaniline in the neat crystal: Will we ever know the truth?” A. Volkov and P. Coppens (poster)

19th European Crystallographic Meeting, Nancy, France, August 25-31, 2000: “Intermolecular interaction energies from the X-ray charge density”, Yu. A. Abramov, A. Volkov and P. Coppens (poster)

Workshop “Chemical Bonding: State of the Art in Conceptual Quantum Chemistry”, La Colle-sur-Loup, France, June 1-4, 2000: “Chemical bonding in molecular crystals from experimental charge densities and theoretical calculations”, P. Coppens, A. Volkov and Yu. Abramov (invited talk)

219th American Chemical Society National Meeting, San Francisco, California, United States, March 26-30, 2000: “Intermolecular interactions and lattice energies from experimental charge densities and from periodic Hartree-Fock calculations”, Y. Abramov, A. Volkov and P. Coppens (talk)

International Workshop on High-precision, High-resolution Analysis Methods of Electronic States of Solids, Tsukuba, Japan, March 7-9, 2000: “The use of high-resolution X-ray diffraction experiments in the evaluation of intermolecular interactions and lattice energies: application to some biological and non-linear optical materials and comparison with theory”, Y. Abramov, A. Volkov, G. Wu and P. Coppens (talk)

8th Conference on Current Trends in Computational Chemistry (CCTCC), Jackson, MS, United States, November 5-6, 1999: “Anisotropic atom-atom potentials from X-ray charge densities: application to intermolecular interactions and lattice energies of glycylglycine, DL-histidine and DL-proline”, Y.A. Abramov, A. Volkov and P. Coppens (poster)

XVIII Congress and General Assembly of the International Union of Crystallography, Glasgow, Scotland, August 4-13, 1999: “Charge density analysis at the SUNY X3 beamline at the National Synchrotron Light Source”, P. Coppens, G. Wu and A. Volkov (invited talk)

1999 American Crystallographic Association Annual Meeting, Buffalo, NY, United States, May 22-27, 1999: “Charge Density Study of 4-amino-4’-nitrobiphenyl at 20 K Using a CCD Area Detector and Synchrotron Radiation”, A. Volkov, G. Wu and P. Coppens (poster and brief oral presentation)

1998 American Crystallographic Association Annual Meeting, Arlington, Virginia, United States, July 18-23, 1998: “Further Development of Area Detector Software Based on the Seed-Skewness Method”, A. Volkov, Z. Su and P. Coppens (poster)

13th International Conference on the X-ray Analysis of Raw Materials, Belgorod, Russia, October 17-20, 1995: "Synthesis and X-ray Diffraction Studies of Carbonatapatites", A. V. Volkov, A. B. Koltsov, M. L. Zorina and O. V. Frank-Kamenetskaya (poster)

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