Publications

In collaboration with our partners in academic and corporate organizations we publish research papers and proceedings of the conferences and workshops in the leading international journals and books.

Research papers

Computational Design of Si/SiO2 Interface: Stress and Strain at Atomic Scale
Phys. Rev. B. 73 (2006) 165312

A. Computational DFT Study of ZrSiO4 polymorphs
Appl. Phys. Lett. 88 (2006) 181913

Structure and Electronic Properties of Zirconium and Hafnium Nitrides and Oxynitrides
J. Appl. Phys. 97 (2005) 044108

Mechanism and Kinetics of Thin Zirconium and Hafnium Oxide Film Growth in an ALD Reactor
Surface Science 549 (2004) 67-86

Atomistic Calculation of Leakage Current through Ultra-Thin Metal-Oxide Barriers
Microelectronic Engineering 69 (2003) 130-137

Kinetic Monte Carlo & Molecular Dynamics Approach for Film Growth Modelling and Simulation:
ZrO2 Deposition on Si(100) Surface
Comput. Materials Science 24 (2002) 128-132

Theoretical Investigation of the Initial Reaction of the NO Decompsition on the Si (100) (2x1) Reconstructed Surface
J. Chem. Phys.113 (2000) 8237-8248

Software

SAGEMD: Molecular Dynamics Software Package to Study Properties of Materials
with Different Models for Interatomic Interactions
Computational Materials Science 28 (2003) 107-124

CHIMERA: a Software Tool for Reaction Rate Calculations and Kinetics and Thermodynamics Analysis
J. Comput. Chem. 23 (2002) 1375-1389

Books & Conference Proceedings

Nanoelectronics and Photonics: From Atoms to Materials, Devices and System Architecture
Springer, Berlin, in production

Special Issue: Papers Selected from NGC2007 Conference
Solid State Electronics, 2007, v.51, No 10

Special Issue: Design and Function of Molecular and BioEelectronic Devices:
Nanotechnology, 2007, v.18, No 42

Nanotechnology for Electronic Materials and Devices
Springer, Berlin, 2006

Nano and Giga Challenges in Microelectronics (NGCM2004), September 13-17, 2004, Krakow, Poland:
Microelectronic Engineering, 2005, v. 81, No 2-4

Atomic Materials Design and Characterization, Symposium H, E-MRS Spring Meeting, May 24-28, 2004, Strasbourg, France:
Computational Materials Science, 2005, v. 33, No 1-3

Nano and Giga Challenges in Microelectronics
Elsevier, Amsterdam, 2003

Nano and Giga Challenges in Microelectronics (NGCM2002), September 10-13, 2002, Moscow, Russia:
Microelectronic Engineering, 2003, v. 69, No 2-4

Software Development for Process and Materials Design, September 15-16, 2002, Moscow, Russia:
Computational Materials Science, 2003, v.28, No.2