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Skills

Programming
C/C++ programming for simple post-processing of simulation data. BASH scripting.
Molecular dynamics
Problems: Small molecules in solution Crystal nucleation and growth Phase transitions using the two-phase equilibrium technique   Software: GROMACS, TINKER, GULP, CPMD, CP2k etc.
Electronic structure calculations
Methods: Density functional theory (including advanced methods such as vdW-DF) Other methods from tight-binding to post-Hartree-Fock QM/MM calculations Electronic transport   Problems: Atomistic structure of materials Electronic structure of materials Magnetism Material & molecular design Chemical reaction pathways Molecular mechanics force field parametrization   Software: SIESTA, ABINIT, PWSCF, Gaussian, OpenMX, CPMD, CP2k, VASP, dOXON, B-BOP etc.

Summary

Computational chemist with broad scientific interests (centered on nanotechnology), particularly interested in the exploratory and design role of molecular simulation in the modern nanoscience/biology/chemistry/materials science.

Publication list

Journal articles:
  1. Theoretical Study of Two-Dimensional Silica Films. V. I. Artyukhov and L. A. Chernozatonskii, J. Phys. Chem. C 114, 9678-84 (2010).
  2. Structure and Layer Interaction in Graphite Fluoride and Graphane: A Comparative Computational Study. V. I. Artyukhov and L. A. Chernozatonskii, J. Phys. Chem. A 114, 5389-96 (2010).
  3. Vacancy-patterned graphene: A meta-material for spintronics. V. I. Artyukhov and L. A. Chernozatonskii, physica status solidi (b) 246, 2534 (2009).
  4. New phase of polymeric C60: double chains via [2+2] cycloaddition. V. I. Artyukhov, E. E. Belova, and L. A. Chernozatonskii, physica status solidi (b) 245, 2022 (2008).
  5. Quantum-chemical study of methane nitrosation with NO in the presence of superelectrophiles containing the trichloromethyl cation. A. L. Chistyakov, I. V. Stankevich, N. P. Gambaryan, I. S. Akhrem and V. I. Artyukhov, Doklady Phys. Chem. 414, 132 (2007).
  6. Silica nanotube multi-terminal junctions as a coating for carbon nanotube junctions. L. A. Chernozatonskii, V. I. Artyukhov, and P. B. Sorokin, Phys. Rev. B 74, 045402 (2006).
  7. New hollow SiO2 clusters: Structure, energy and electronic characteristics. V. I. Artyukhov and L. A. Chernozatonskii, Fullerenes, Nanotubes, and Carbon Nanostructures 14, 545 (2006).
Book chapters:
  1. Silica Nanoclusters and Nanoparticles. V. I. Artyukhov and L. A. Chernozatonskii, in Nanoclusters and Nanostructured Surfaces, A. K. Ray (Ed.), ASP (2010).
  2. (in Russian) Chemical intermediates in photochemical models of ATP synthesis. O. S. Nedelina, O. N. Brzhevskaya, E. N. Degtyarev, A. S. Zubkov, V. I. Artyukhov, L. A. Chernozatonski, in Problems of the origins and evolution of biosphere, E. M. Galimov (Ed.), URSS (2008), pp. 179-188.

Objective

Advanced material and molecular design for nanotechnology, biology, and chemistry.

Other interests

Music: jazz, folk, fusion, progressive, rock, electronic. Electric guitar and bass, keyboards. Composition and arrangement.

Sports: mountain biking, roller skating, mountain skiing.

Qualities

  • Broad scientific interests and background (particularly, biology).
  • Work done in collaboration with experimentalists as well as other theorists.
  • Teaching experience: student training, thesis work supervision.
  • Initiative and thoroughness.
  • Good written and oral presentation skills, both popular and technical.
  • High personal productivity (GTD).
  • Language command: fluent English, basic German.

Tutorials and schools

  • October 2006: "Quantum Simulation of Liquids and Solids". CECAM, ENS Lyon, France.
  • June 2007: "Efficient density-functional calculations with atomic orbitals: a hands-on tutorial on the SIESTA code". CECAM, ENS Lyon, France.
  • November 2007: "High performance density functional theory : wavelets, order(N) scaling, parallelism". CECAM, ENS Lyon, France.

Selected talks and posters

2010

  • V. I. Artyukhov, L. A. Chernozatonskii. Graphite fluoride and graphane: structure and layer interactions from computer simulations . XXIVth International Winterschool on Electronic Properties of Novel Materials (IWEPNM 2010), Kirchberg/Tirol, Austria (poster).

  • A. S. Zubkov, V. I. Artyukhov. Modeling the thermodynamics of the dissociative capture of low-energy electrons in oxyacid-mediated electron transfer. “Lomonosov-2010”, Moscow State University, Moscow, Russia (oral).

2009

  • V. I. Artyukhov. Nanotechnologies: Physico-chemical distinctions, biological applications, prospects. VII IBCP conference “Biochemical physics”, Moscow, Russia (plenary).

  • V. I. Artyukhov, L. A. Chernozatonskii. Graphite fluoride and graphane: structure and layer interactions from computer simulations. Nanocarbons: From Physicochemical and Biological Properties to Biomedical and Environmental Effects (NanoCarb09), Acquafredda di Maratea, Italy (poster).

  • P. P. Gusyatnikova, V. I. Artyukhov, L. A. Chernozatonskii. Electronic and magnetic properties of zigzag graphene nanoribbon-based 1D superlattices. 9th International Workshop on Fullerenes and Atomic Clusters (IWFAC'09), St. Petersburgh, Russia (poster).

  • A. S. Zubkov, V. I. Artyukhov. Electron transport role of oxyacids: modeling the thermodynamics of the dissociative capture of low-energy electrons. “Lomonosov-2009”, Moscow State University, Moscow, Russia (oral).

  • V. I. Artyukhov, L. A. Chernozatonskii. Engineering the spin transport in graphene with vacancies. XXIIIrd International Winterschool on Electronic Properties of Novel Materials (IWEPNM 09), Kirchberg/Tirol, Austria (poster).

2008

  • V. I. Artyukhov. Graphene with vacancies: promises for spintronics. International Conference on Molecule-based Magnets, Florence, Italy (poster).

  • A. S. Zubkov, V. I. Artyukhov, A. A. Korlyukov, L. A. Chernozatonsky, O. S. Nedelina. Dissociative electron attachment to H2PO4 followed by atomic hydrogen release: Process modeling and energy calculations by DFT methods. ISSOL XV International Conference on the Origin of Life, Florence, Italy (poster).

  • V. I. Artyukhov, E. E. Belova, L. A. Chernozatonskii. New Phase of Polymeric C60: Double Chains via [2+2] Cycloaddition. XXIIth International Winterschool on Electronic Properties of Novel Materials (IWEPNM 08), Kirchberg/Tirol, Austria (poster).

2005-2007

  • V. I. Artyukhov, J. Brüning, L. A. Chernozatonskii. Vacancies in graphene: a prospect for graphene-based spintronics. 8th International Workshop on Fullerenes and Atomic Clusters (IWFAC'07), St. Petersburgh, Russia (poster).

  • L.A. Chernozatonskii, V. I. Artyukhov, P.B. Sorokin, J. Brüning. Silica nanotubes as a coating for multi-terminal carbon nanotube junction structures. GDR-E Nano-E, No 2756 �Science and Application of Nanotubes�, Houffalize, Belgium, 2005 (poster).

  • L. A. Chernozatonskii, V. I. Artyukhov. New SiO2 hollow clusters: structure, energy and electronic characteristics. 7th International Workshop on Fullerenes and Atomic Clusters (IWFAC'05), St. Petersburgh, Russia (poster).

Education

Work experience

Aug 2007Present

Research Scientist

Institute of Biology of Aging
  • Physico-chemical mechanisms of xenon cryoprotection
  • Clathrate hydrate nucleation and growth
  • Investigation of possible alternative cryoprotectants
Dec 2004Present

Research Scientist

Institute of Biochemical Physics RAS

Studies of structure and electronic properties of novel nanomaterials:

  • graphene and graphene-based materials
    • magnetic properties of vacancies
    • nanoribbons and GNR superlattices
    • graphane and graphite fluoride
  • polymeric C60 phases
  • carbon and inorganic nanotubes
  • inorganic clusters and nanowires

Collaborations with other groups:

  • electrophilic catalysis
  • oxyacid-mediated electron transfer
    • role in biochemical reactions
    • role in radiative DNA damage
Aug 2007Present

News Editor

EternalMind

Monitoring science and technology news in anti-aging medicine, nanotechnology and other NBIC-related subject areas. Writing, editing, translation.

Apr 2005Jan 2010

Translator

MAIK Nauka/Interperiodica

Translation of research articles for the English version of "Physics of the Solid State" journal.

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