Professor Maija Kukla

THE DEPARTMENT of  MATERIALS SCIENCE and ENGINEERING · A. JAMES CLARK SCHOOL of  ENGINEERING

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Nikolai Zarkevich

Materials Science and Engineering
University of Maryland, Bldg. 090
College Park, MD 20742-2115, USA

Email: zarkev@gmail.com
Phone: +1-530-219-5275
Legal status: U.S. Permanent Resident

Education

• 1997-2003 Ph.D., University of Illinois at Urbana-Champaign (UIUC). GPA=3.953/4.
• 1994-1996 M.S., Theoretical Physics, Moscow Institute of Physics & Technology (MIPT).
• 1990-1994 B.S., Physics and Mathematics, Moscow Institute of Physics and Technology.
• 2003 Option in Computational Science and Engineering (CSE), UIUC.
• 1996 Certificate in Theoretical Physics, Training Center at JINR, Dubna, Russia.

Professional Experience

• 03/2009-current Research Associate, Materials Science & Engineering, U. of Maryland.
• 08/2008-02/2009 Research Engineer, Robert Bosch Research Center, Cambridge, MA.
• 06/2007-06/2008 Research Scholar, Computer Science, University of California, Davis.
• 07/2003-06/2007 Research Associate (Postdoc), Materials Science & Engineering, UIUC.
• 06/1998-06/2003 Research Assistant (doctorate), Physics Department, UIUC.
• 08/1997-06/1998 Teaching Assistant, Physics Department, UIUC.
• 07/1996-08/1997 Research Scientist, BLTP, JINR, Dubna, Russia.
• 01/1995-06/1996 Research Assistant (graduate), Bogoliubov Laboratory of Theoretical Physics (BLTP), Joint Institute for Nuclear Research (JINR), Dubna.
• 10/1993-12/1994 Research Assistant (undergraduate), Alikhanov Institute of Theoretical and Experimental Physics (ITEP), State Scientific Center, Moscow.
• 01/1991-06/1996 Teacher of Physics and Mathematics, Correspondence School of Physics and Technology at MIPT, Moscow.

Grants and Fellowships

• Principal Investigator (PI): grant “Quantum Monte Carlo for Strongly Correlated Systems” from National Science Foundation (NSF) at TeraGrid: 2008–2009.
• PI: grant DMR060017N “Materials for High-capacity Hydrogen Storage” from NSF at National Center for Supercomputing Applications (NCSA): 2006–2007.
• 2 Student conference travel grants from UIUC: 2001 and 2002.
• Travel grant from Pan-American Advanced Studies Institute (PASI), 2001.
• 2 Soros student fellowships: 1994-95 and 1996.

Honors and Awards

• 7 Certificates of Appreciation, Illinois Junior Academy of Science: 2001 – 2007.
• Honor Society of Phi Kappa Phi, 2001.
• Red Diploma, Moscow Institute of Physics and Technology, 1996.

Competitive Ability

• Silver medal for the 2nd place in the USA Open Competition in Brain Ring (1998).
• Winner of the USSR Physics Olympiads: 1st (1988), 2nd (1989), and 1st (1990): Implied ranking is 1st among 293,047,571 people.

Professional Community Service

• Editor, Central European Journal of Physics.
• Referee for scientific journals: Physical Review A-B, Physical Review Letters.
• Organizer of Science Olympiads for schoolchildren from high and middle schools:
  • Materials Science section of Illinois Science Olympiad in 2001-2007.
  • Bottle Rockets section of Illinois Science Olympiad (USA) in 2000.
  • MIPT winter Olympiads in Physics and Mathematics in 1992-1996.
  • Moscow Regional Physics Olympiad, Khimki, Moscow Region, 1991.
• Organizer of the Summer School on Computational Materials Science in 2005.

Software Design and Implementation

• Thermodynamic Toolkit (TTK) for parallel multi-scale computations.
• Monte Carlo program for predicting alloy thermodynamics.
• CAMAC branch interface for the 3-meter magnetic spectrometer at the ITEP synchrotron.
• Ab Initio Database of Atomistics (AIDA) at BOSCH.
• The Structural Database: http://data.mse.uiuc.edu

Programming Languages

C++ and Fortran were used for my research codes. I use MPI and openMP for parallelization. For scripting I usually use csh and Python. I am familiar with Perl and Java. I have implemented the structural database in SQL using Oracle Database on Red Hat Enterprise Linux OS. For the web interface, I use HTML and XML. I use PowerPoint for presentations. I write articles using LaTeX and Word.

Journal Publications (Refereed)

18. N.A. Zarkevich and D.D. Johnson, “Predicting Enthalpies of Molecular Substances: Application to LiBH4,” Phys. Rev. Lett. 100, 040602 (2008).
17. N.A. Zarkevich, Teck L. Tan, L.-L. Wang, and D.D. Johnson, “Low-energy antiphase boundaries, degenerate superstructures, and phase stability in frustrated fcc Ising model and Ag-Au alloys,” Phys. Rev. B 77, 144208 (2008).
16. B. Dai, R.B. Rankin, J.K. Johnson, M.D. Allendorf, D.S. Sholl, N.A. Zarkevich, and D.D. Johnson, “Influence of Surface Reactions on Complex Hydride Reversibility,” J. Phys. Chem. C 112, 18270 (2008).
15. N.A. Zarkevich, Teck L. Tan, D.D. Johnson, “First-principles prediction of phase-segregating alloy phase diagrams and a rapid design estimate of their transition temperatures,” Phys. Rev. B 75, 104203 (2007).
14. N.A. Zarkevich and D.D. Johnson, Comment on “Structural Stability of Complex Hydrides: LiBH4 Revisited,” Phys. Rev. Lett. 97, 119601 (2006).
13. N.A. Zarkevich, “Structural Database for reducing cost in materials design and complexity of multi-scale computations,” Complexity 11, 36 (2006).
12. N.A. Zarkevich and D.D. Johnson, “Energy scaling and surface patterning of halogen-terminated Si(001) surfaces,” Surface Science 591, L291-L298 (2005).
11. G.J. Xu, N.A. Zarkevich, A. Agrawal, A.W. Signor, D.D. Johnson, and J.H. Weaver, “Cross-over energetics of halogenated Si(100):Vacancy line defects, dimer vacancy lines, and atom vacancy lines,” Phys. Rev. B 71, 115332 (2005).
10. N.A. Zarkevich and D.D. Johnson, “Reliable Alloy Thermodynamics from Truncated Cluster Expansions,” Phys. Rev. Lett. 92, 255702 (2004).
9. N.A. Zarkevich and D.D. Johnson, “Predicted hcp Ag-Al metastable phase diagram, equilibrium ground states, and precipitate structure,” Phys. Rev. B 67, 064104 (2003).
8. N.A. Zarkevich, D.D. Johnson, and A.V. Smirnov, “Structure and stability of hcp bulk and nano-precipitated Ag2Al,” Acta Materialia 50, 2443-2459 (2002).

Conference Proceedings (Refereed)

7. V.N. Pervushin and N.A. Zarkevich, “Hamiltonian Reduction for spherically-symmetric gravity,” in Symmetry methods in Physics, edited by A.N. Sissakian and G.S. Pogosyan, p.38-42, Dubna, Russia (1996).
6. Yu. A. Borodin, N.A. Zarkevich, V.V. Kulikov, M.A. Matsyuk, and A.I. Khanov, in Proceedings of the 2nd Workshop on PCs and Particle Accelerator Control, Tsukuba, Japan (1999).
5. Yu. A. Borodin, N.A. Zarkevich, V.V. Kulikov, M.A. Matsyuk, and A.I. Khanov, in Proceedings of DESY International Workshop on Personal Computers and Particle Accelerator Controls, DESY, Germany (1996).
4. Yu. A. Borodin, N.A. Zarkevich, V.V. Kulikov, M.A. Matsyuk, and A.I. Khanov, “A Simple IBM PC/AT Memory-mapped CAMAC Branch Interface,” in Proceedings of the International Conference RDT’94, Dubna, Russia (1994).

Theses

3. N.A. Zarkevich, “First-principles prediction of thermodynamics and ordering in metallic alloys,” Ph.D. thesis, University of Illinois at Urbana-Champaign, 2003.
2. N.A. Zarkevich, “Construction of a reduced physical Hamiltonian for spherically symmetric gravity,” Diploma thesis, Moscow Institute of Physics and Technology, 1996.

Preprint

1. Yu. A. Borodin, N.A. Zarkevich, V.V. Kulikov, M.A. Matsyuk, A.I. Khanov, “A Simple IBM PC/AT Memory-mapped CAMAC Interface, ITEP preprint #39-94, Moscow, 1994.

Invited Talks

8. N.A. Zarkevich, “Prediction of Materials Properties and Design of Advanced Materials by Multi-Disciplinary Research,” IBM's T.J. Watson Research Center, Yorktown Heights, New York, December 15, 2008.
7. N.A. Zarkevich, “Electronic structure engineering and multi-scale modeling,” Physics Department, University of California, Davis, California, May 23, 2008.
6. N.A. Zarkevich, “Combining Classical and Quantum Monte Carlo methods with Density Functional Theory for Electronic Structure Engineering and Thermodynamic Modeling,” Bosch Research Center, Palo Alto, Silicon Valley, California, May 19, 2008.
5. N.A. Zarkevich, “Continuous Time Quantum Monte Carlo: Theory and Implementation,” Physics Department, University of California, Davis, July 6, 2007.
4. N.A. Zarkevich, “Predicting Thermodynamics: Applications to Alloys, Silicon Surface, and Hydrogen Storage,” University of Nebraska, Lincoln, February 16, 2007.
3. N.A. Zarkevich, “Improving Accuracy of Thermodynamics Predicted from Multi-scale Methods by Global Data Integration,” 2005 Summer School on Computational Materials Science, Urbana, Illinois, June 20, 2005.
2. N.A. Zarkevich, “Multi-scale computational toolkit for multi-component alloys: development, implementation, and applications,” MSE, UIUC, January 29, 2004.
1. N.A. Zarkevich, “Spherically symmetric black holes in Hamiltonian approach,” Bogoliubov Seminar, BLTP, JINR, Dubna, Russia, June 2, 1995.

Conference Presentations

27. N.A. Zarkevich, Zhaojun Bai, Sergey Savrasov, Richard Scalettar, Mark Jarrell, “Interfacing Determinant Quantum Monte Carlo and Density Functional Theory,” Session X13.0007: Quantum Monte Carlo Methods and Strongly Correlated Systems, APS March Meeting, New Orleans, Louisiana, March 14, 2008.
26. N.A. Zarkevich and D.D. Johnson, “Modeling and Experimental Investigations of Complex Hydrides” (poster), DOE Metal Hydride Center of Excellence, May 9, 2007.
25. N.A. Zarkevich, D.D. Johnson, “Enthalpy of molecular solids beyond harmonic approxi-mation: application to hydrogen storage,” APS March Meeting, Denver, March 8, 2007.
24. Teck L. Tan, N.A. Zarkevich, and D.D. Johnson, “Rapid first-principles design estimates of alloy order-disorder temperatures,” APS March Meeting, Denver, CO, March 7, 2007.
23. D.D. Johnson, Teck Tan, and N.A. Zarkevich, “Reliable First-Principles Prediction of Alloy Thermodynamic Characterization Data via Cluster Expansion Methods,” TMS2007 136th Annual Meeting: Linking Science and Technology for Global Solutions, Session “Computational Thermodynamics and Phase Transformations: First Principles and Atomistic Calculations of Phase and Alloy Thermodynamics II,” Orlando, Florida, February 26, 2007.
22. D.D. Johnson and N.A. Zarkevich, “Predicted accurate thermodynamic properties of reversible hydrogen-storage destabilized metal hydrides and their proper comparison to experiment,” MH2006 International Symposium on Metal-Hydrogen Systems, O-059, Lahaina, Maui, Hawaii, October 3, 2006.
21. N.A. Zarkevich and D.D. Johnson, “First-Principles Calculations of van’t Hoff Plots for Novel Hydrogen Storage Materials,” APS March Meeting, Baltimore, March 15, 2006.
20. Teck L. Tan, N.A. Zarkevich, and D.D. Johnson, “Computational Toolkit for First-Principles Multi-component Alloy Thermodynamics” (poster), APS March Meeting, March 14, 2006.
19. N.A. Zarkevich and D.D. Johnson, “The Structural Database” (poster), APS March Meeting, Baltimore, MD, March 13, 2006.
18. N.A. Zarkevich, D.D. Johnson, G.J. Agrawal, A.W. Signor, B.R. Trenhaile, J.H. Weaver, “Crossover Energetics for Halogenated Si(001): Vacancy Line Defects, Atom and Dimer Vacancy Lines” (poster), DOE review, Materials Research Laboratory, Urbana, IL, 2005.
17. D.D. Johnson, N.A. Zarkevich, D. Finkenstadt, “Reliable First-Principles Alloy Thermo-dynamics for Predicting and Understanding Characterization Data,” TMS conference: Solid-Solid Phase Transformations in Inorganic Materials 2005, Computer Simulation of Phase Transformations Symposium, Phoenix, AZ, May 29 – June 3, 2005.
16. N.A. Zarkevich, “How Information Integration and Data Mining can reduce Computational Complexity in Materials World,” Understanding Complex Systems Symposium: Computational Complexity and Bioinformatics, Urbana, IL, May 17, 2005.
15. N.A. Zarkevich and D.D. Johnson, “Optimal Cluster Expansions: Predicting Alloy Thermodynamics with Desired Accuracy,” APS March Meeting, CA, March 24, 2005.
14. D.D. Johnson and N.A. Zarkevich, “Energy scaling and surface patterning of halogen-terminated Si(001) surfaces,” APS March Meeting, Los Angeles, CA, March 23, 2005.
13. Subhradip Ghosh, Daniel Roberts, Dominic Biava, Nikolai Zarkevich, and D.D. Johnson, “Ordering in multi-component alloys: where do the atoms go and why?” (poster), NSF Division of Materials Research ITR Computational Workshop, Urbana, June 18, 2004.
12. N.A. Zarkevich and D.D. Johnson, “Accurate Estimate of Order-Disorder Transition Temperatures in Alloys,” APS March Meeting, Montreal, Canada, March 22, 2004.
11. N.A. Zarkevich and D.D. Johnson, “Reliable First-Principles Prediction of Alloy Thermodynamics” (poster), Department of Energy review, Materials Research Laboratory, Urbana, Illinois, 2003.
10. N.A. Zarkevich, “First-principles prediction of thermodynamics and ordering in complex alloys,” Understanding Complex Systems Symposium, Urbana, Illinois, May 21, 2003.
9. N.A. Zarkevich and D.D. Johnson, “Reliability of first-principles thermodynamics based on truncated cluster expansions,” APS March Meeting, Austin, Texas, March 6, 2003.
8. N.A. Zarkevich and D.D. Johnson, “Thermodynamic and structural properties of hcp bulk and nano-precipitated Ag-Al,” APS March Meeting, Indianapolis, IN, March 18, 2002.
7. N.A. Zarkevich, D.D. Johnson, R. Hyland, M.D. Asta, “Stability and structure of hcp-based bulk and nano-phase Ag2Al” (poster), Materials Research Laboratory, Urbana, 2001.
6. N.A. Zarkevich, D.D. Johnson, and A.V. Smirnov, “Chemical Order of hcp Ag2Al: resolving the discrepancy between X-ray and TEM data,” APS March Meeting, Seattle, WA, March 12, 2001.
5. Yu. A. Borodin, N.A. Zarkevich, V.V. Kulikov, M.A. Matsyuk, and A.I. Khanov, The second workshop on PCs and Particle Accelerator Control (PCaPAC’99), Tsukuba, Japan, 12-15 January, 1999.
4. Yu. A. Borodin, N.A. Zarkevich, V.V. Kulikov, M.A. Matsyuk, and A.I. Khanov, DESY International Workshop on Personal Computers and Particle Accelerator Controls (PCaPAC), DESY, Germany, September 25, 1996.
3. N.A. Zarkevich, D.M. Mladenov, and V.N. Pervushin, “Hamiltonian description for spherically symmetric gravity with matter: gaugeless approach,” VIII Lobachevsky International Extended Seminar on Gravitational Energy and Gravitational Waves, Dubna, Russia, 1995.
2. V.N. Pervushin and N.A. Zarkevich, “Hamiltonian Reduction for spherically-symmetric gravity,” VII International Conference on Symmetry methods in Physics, Dubna, Russia, July 10-16, 1995.
1. Yu. A. Borodin, N.A. Zarkevich, V.V. Kulikov, M.A. Matsyuk, and A.I. Khanov, “A Simple IBM PC/AT Memory-mapped CAMAC Branch Interface,” International Conference RDT’94, Dubna, Russia, 1994.

 

 

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Department of Materials Science | A. James Clark School of Engineering | University of Maryland