Materials Simulation Laboratory

Oleynik Group

Department of Physics, University of South Florida

Metastable Carbon at Extreme Conditions A. S. Williams, K. Nguyen-Cong, J. T. Willman, and I. I. Oleynik, ArXiv 2211, 09974 (2022)

Machine learning interatomic potential for simulations of carbon at extreme conditions J. T. Willman, K. Nguyen-Cong, A. S. Williams, A. B. Belonoshko, S. G. Moore, A. P. Thompson, M. A. Wood, and I. I. Oleynik, Phys. Rev. B 106, L180101 (2022)

Billion atom molecular dynamics simulations of carbon at extreme conditions and experimental time and length scales K. Nguyen-Cong, J. T. Willman, S. G. Moore, A. B. Belonoshko, R. Gayatri, E. Weinberg, M. A. Wood, A. P. Thompson, and I. I. Oleynik, ", Proc. Int. Conf. High Perform. Comput. Networking, Storage Anal. 1 (2021)

Crystal structure of silver pentazolates AgN5 and AgN6 A. S. Williams, K. Nguyen Cong, J. M. Gonzalez, and I. I. Oleynik, Dalt. Trans. 50, 16364 (2021)

Correlating structural, electronic, and magnetic properties of epitaxial VSe2 thin films G. Chen, S. T. Howard, A. B. Maghirang, K. Nguyen Cong, R. A. B. Villaos, L. Y. Feng, K. Cai, S. C. Ganguli, W. Swiech, E. Morosan, I. I. Oleynik, F. C. Chuang, H. Lin, and V. Madhavan, Phys. Rev. B 102, 115149 (2020)

First principles molecular dynamics simulations of high-pressure melting of diamond K. Nguyen-Cong, A. S. Williams, J. T. Willman, A. B. Belonoshko, and I. I. Oleynik, AIP Conf. Proc. 2272, 070010 (2020)

Predictive simulations of metastable phases of carbon at high compression A. Williams, K. N. Cong, J. Willman, N. Goldman, and I. Oleynik, AIP Conf. Proc. 2272, 070054 (2020)

Quantum accurate SNAP carbon potential for MD shock simulations J. T. Willman, A. S. Williams, K. Nguyen-Cong, A. P. Thompson, M. A. Wood, A. B. Belonoshko, and I. I. Oleynik, AIP Conf. Proc. 2272, 070055 (2020)

Monolayer Modification of VTe2 and Its Charge Density Wave P. M. Coelho, K. Lasek, K. Nguyen Cong, J. Li, W. Niu, W. Liu, I. I. Oleynik, and M. Batzill, J. Phys. Chem. Lett. 10, 4987 (2019)

Charge Density Wave State Suppresses Ferromagnetic Ordering in VSe2 Monolayers P. M. Coelho, K. Nguyen Cong, M. Bonilla, S. Kolekar, M. H. Phan, J. Avila, M. C. Asensio, I. I. Oleynik, and M. Batzill, J. Phys. Chem. C 123, 14089 (2019)

Computational Discovery of New High-Nitrogen Energetic Materials B. A. Steele and I. I. Oleynik, , in Comput. Approaches Chem. Under Extrem. Cond., edited by N. Goldman (Springer International Publishing, Cham, 2019), pp. 25–52

Interaction of a Charge with the Metal M. A. Kozhushner, V. S. Posvyanskii, B. V. Lidskii, and I. I. Oleynik, J. Phys. Chem. B 12, 266 (2018)

First principles investigation of nitrogen-rich energetic materials B. A. Steele and I. I. Oleynik, AIP Conf. Proc. 1979, 150036 (2018)

Tin-Selenium Compounds at Ambient and High Pressures K. Nguyen-Cong, J. M. Gonzalez, B. A. Steele, and I. I. Oleynik, J. Phys. C 122, 18274-18281 (2018)

Novel phases and superconductivity of tin sulfide compounds J. M. Gonzalez, K. Nguyen-Cong, B. A. Steele, and I. I. Oleynik, J. Chem. Phys. 146, 194701 (2018)

Cesium Pentazolate: A New Nitrogen-rich Energetic Material B. A. Steele, E. Stavrous, V. B. Prakapenka, H. Radousky, J. Zaug, J. C. Crowhurst, and I. I. Oleynik, AIP Conf. Proc. 1793, 40016 (2017)

First-principles Investigation Of Iron Pentacarbonyl Molecular Solid Phases At High Pressure K. N. Cong, B. A. Steele, A. C. Landerville, and I. I. Oleynik, AIP Conf. Proc. 1793, 70018 (2017)

Experimental And Theoretical Investigation Of Pressure-dependent Raman Spectra Of Triaminotrinitrobenzene (TATB) At High Pressures A. C. Landerville, J. C. Crowhurst, C. D. Grant, J. M. Zaug, and I. Oleynik, AIP Conf. Proc. 1793, 40005 (2017)

Force Distribution In A Granular Medium Under Dynamic Loading V. A. Danylenko, S. V. Mykulyak, V. O. Polyakovskyi, V. V. Kulich, and I. I. Oleynik, Phys. Rev. E 96, 12906 (2017)

High-Pressure Synthesis Of A Pentazolate Salt B. A. Steele, E. Stavrou, J. C. Crowhurst, J. M. Zaug, V. B. Prakapenka, and I. I. Oleynik, Chem. Mater. 29, 735 (2017)

New Crystal Phase Of Ammonium Nitrate: First-principles Prediction And Characterization B. A. Steele, and I. I. Oleynik, AIP Conf. Proc. 1793, 130008 (2017)

Novel Potassium Polynitrides At High Pressures B. A. Steele, and I. I. Oleynik, J. Phys. Chem. A 121, 8955 (2017)

Novel Rubidium Poly-nitrogen Materials At High Pressure A. S. Williams, B. A. Steele, and I. I. Oleynik, J. Chem. Phys. 147, 234701 (2017)

Pentazole And Ammonium Pentazolate: Crystalline Hydro-Nitrogens At High Pressure B. A. Steele and I. I. Oleynik, J. Phys. Chem. A 121, 1808 (2017)

Preface: 19th Biennial APS Conference On Shock Compression Of Condensed Matter R. Chau, T. Germann, I. Oleynik, S. Peiris, R. Ravelo, and T. Sewell, AIP Conf. Proc. 1793, 10001 (2017)

Sensor Effect In Oxide Films With A Large Concentration Of Conduction Electrons M. A. Kozhushner, V. L. Bodneva, I. I. Oleynik, T. V. Belysheva, M. I. Ikim, and L. I. Trakhtenberg, J. Phys. Chem. C 121, 6940 (2017)

Structural And Spectroscopic Studies Of Nitrogen-carbon Monoxide Mixtures: Photochemical Response And Observation Of A Novel Phase J. A. Ciezak-Jenkins, B. A. Steele, G. M. Borstad, and I. I. Oleynik, J. Chem. Phys. 146, 184309 (2017)

Ternary Inorganic Compounds Containing Carbon, Nitrogen, And Oxygen At High Pressures B. A. Steele and I. I. Oleynik, Inorg. Chem. 56, 13321 (2017)

Vibrational And Thermal Properties Of Β-HMX And TATB From Dispersion Corrected Density Functional Theory A. C. Landerville and I. I. Oleynik, AIP Conf. Proc. (2017), p. 50007

Vibrational And Thermophysical Properties Of PETN From First Principles J. M. Gonzalez, A. C. Landerville, and I. I. Oleynik, AIP Conf. Proc. 1793, 70009 (2017)

Layer-dependent properties of SnS₂ and SnSe₂ two-dimensional materials J. M. Gonzalez and I. I. Oleynik, Phys. Rev. B 94, 125443 (2016)

Sodium Pentazolate: A Nitrogen Rich High Energy Density Material B. A. Steele and I. I. Oleynik, Chem. Phys. Lett. 643, 21 (2016)

Cesium Pentazolate: A New Nitrogen-rich Energetic Material B. A. Steele, E. Stavrou, V. B. Prakapenka, H. B. Radousky, J. M. Zaug, J. C. Crowhurst, and I. I. Oleynik, Lawrence Livermore Natl. Lab. Rep. LLNL-PROC-677378 (2015)

Inhomogeneous Charge Distribution In Semiconductor Nanoparticles M. A. Kozhushner, B. V. Lidskii, I. I. Oleynik, V. S. Posvyanskii, and L. I. Trakhtenberg, J. Phys. Chem. C 119, 16286 (2015)

Sodium pentazolate: A nitrogen rich high energy density material B. A. Steele and I. I. Oleynik, Chem. Phys. Lett. 643, 21 (2016)

New phase of ammonium nitrate: A monoclinic distortion of AN-IV B. A. Steele and I. I. Oleynik, J. Chem. Phys. 143, 234705 (2015)

Laminar, cellular, transverse, and multiheaded pulsating detonations in condensed phase energetic materials from molecular dynamics simulations V. V. Zhakhovsky, M. M. Budzevich, A. C. Landerville, I. I. Oleynik, and C. T. White, Phys. Rev. E 90, 033312 (2014)

Ammonium Azide under High Pressure: A Combined Theoretical and Experimental Study J. C. Crowhurst, J. M. Zaug, H. B. Radousky, B. A. Steele, A. C. Landerville, and I. I. Oleynik, J. Phys. Chem. A 118, 8695 (2014)

Effect of Temperature and Nanoparticle Size on Sensor Properties of Nanostructured Tin Dioxide Films M. A. Kozhushner, L. I. Trakhtenberg, V. L. Bodneva, T. V. Belisheva, A. C. Landerville, and I. I. Oleynik, J. Phys. Chem. C 118, 11440 (2014)

Density Functional Theory Investigation of Sodium Azide at High Pressure B. A. Steele, A. C. Landerville, and I. I. Oleynik, J. Phys. Conf. Ser. 500, 162005 (2014)

Ammonium Azide under Hydrostatic Compression A. C. Landerville, B. C. Steele, and I. I. Oleynik, J. Phys. Conf. Ser. 500, 162006 (2014)

Evolution of Elastic Precursor and Plastic Shock Wave in Copper via Molecular Dynamics Simulations R. Perriot, V. V. Zhakhovsky, N. A. Inogamov, and I. I. Oleynik, J. Phys. Conf. Ser. 500, 172008 (2014)

Elastic-Plastic Collapse of Super-Elastic Shock Waves in Face-Centered-Cubic Solids V. V. Zhakhovsky, N. A. Inogamov, B. J. Demaske, I. I. Oleynik, and C. T. White, J. Phys. Conf. Ser. 500, 172007 (2014)

Nano-Scale Spinning Detonation in a Condensed Phase Energetic Material V. V. Zhakhovsky, M. M. Budzevich, A. C. Landerville, I. I. Oleynik, and C. T. White, J. Phys. Conf. Ser. 500, 172006 (2014)

From Laminar to Turbulent Detonations in Energetic Materials from Molecular Dynamics Simulations V. V. Zhakhovsky, M. M. Budzevich, A. C. Landerville, I. I. Oleynik, and C. T. White, J. Phys. Conf. Ser. 500, 172005 (2014)

Two-Temperature Hydrodynamic Expansion and Coupling of Strong Elastic Shock with Supersonic Melting Front Produced by Ultrashort Laser Pulse N. A. Inogamov, V. V. Zhakhovsky, V. A. Khokhlov, B. J. Demaske, K. V Khishchenko, and I. I. Oleynik, J. Phys. Conf. Ser. 500, 192023 (2014)

Surface Nano-Structuring Produced by Spallation of Metal Irradiated by an Ultrashort Laser Pulse N. A. Inogamov, V. V. Zhakhovsky, S. I. Ashitkov, Y. N. Emirov, A. Y. Faenov, T. A. Pikuz, M. Ishino, M. Kando, N. Hasegawa, M. Nishikino, T. Kawachi, M. B. Agranat, A. V Andriash, S. E. Kuratov, and I. I. Oleynik, J. Phys. Conf. Ser. 500, 112070 (2014)

Ultrafast Lasers and Solids in Highly Excited States: Results of Hydrodynamics and Molecular Dynamics Simulations N. A. Inogamov, V. V. Zhakhovsky, V. A. Khokhlov, S. I. Ashitkov, Y. N. Emirov, K. V Khichshenko, A. Y. Faenov, T. A. Pikuz, M. Ishino, M. Kando, N. Hasegawa, M. Nishikino, P. S. Komarov, B. J. Demaske, M. B. Agranat, S. I. Anisimov, T. Kawachi, and I. I. Oleynik, J. Phys. Conf. Ser. 510, 012041 (2014)

Surface Nanodeformations Caused by Ultrashort Laser Pulse N. A. Inogamov, V. V. Zhakhovsky, S. I. Ashitkov, Y. N. Emirov, A. Y. Faenov, Y. V. Petrov, V. A. Khokhlov, M. Ishino, B. J. Demaske, M. Tanaka, N. Hasegawa, M. Nishikino, S. Tamotsu, T. A. Pikuz, I. Y. Skobelev, T. Ohba, T. Kaihori, Y. Ochi, T. Imazono, Y. Fukuda, M. Kando, Y. Kato, T. Kawachi, S. I. Anisimov, M. B. Agranat, I. I. Oleynik, and V. E. Fortov, Eng. Fail. Anal. (2014)

Electron-Ion Relaxation, Phase Transitions, and Surface Nano-Structuring Produced by Ultrashort Laser Pulses in Metals N. A. Inogamov, V. V. Zhakhovsky, Y. V. Petrov, V. A. Khokhlov, S. I. Ashitkov, K. V. Khishchenko, K. P. Migdal, D. K. Ilnitsky, Y. N. Emirov, P. S. Komarov, V. V. Shepelev, C. W. Miller, I. I. Oleynik, M. B. Agranat, A. V. Andriyash, S. I. Anisimov, and V. E. Fortov, Contrib. to Plasma Phys. 53, 796 (2013)

Ultrashort Shock Waves in Nickel Induced by Femtosecond Laser Pulses B. J. Demaske, V. V. Zhakhovsky, N. A. Inogamov, and I. I. Oleynik, Phys. Rev. B 87, 054109 (2013)

Theory of Sensing Response of Nanostructured Tin-Dioxide Thin Films to Reducing Hydrogen Gas M. A. Kozhushner, L. I. Trakhtenberg, A. C. Landerville, and I. I. Oleynik, J. Phys. Chem. C 117, 11562 (2013)

Screened Environment-Dependent Reactive Empirical Bond-Order Potential for Atomistic Simulations of Carbon Materials R. Perriot, X. Gu, Y. Lin, V. V. Zhakhovsky, and I. I. Oleynik, Phys. Rev. B 88, 64101 (2013)

Super-Elastic Response of Metals to Laser-Induced Shock Waves V. V. Zhakhovsky, B. J. Demaske, N. A. Inogamov, V. A. Khokhlov, S. I. Ashitkov, M. B. Agranat, and I. I. Oleynik, AIP Conf. Proc. 102, 102 (2012)

Single Two-Zone Elastic-Plastic Shock Waves in Solids V. V. Zhakhovsky, M. M. Budzevich, N. Inogamov, C. T. White, and I. I. Oleynik, AIP Conf. Proc. 1232, 1227 (2012)

Shock Compression of Diamond: Molecular Dynamics Simulations Using Different Interatomic Potentials R. Perriot, Y. Lin, V. V. Zhakhovsky, N. Pineau, J. H. Los, J.-B. Maillet, L. Soulard, C. T. White, and I. I. Oleynik, AIP Conf. Proc. 1175, 1175 (2012)

First-Principles Thermodynamics of Energetic Materials A. C. Landerville, M. W. Conroy, Y. Lin, M. M. Budzevich, C. T. White, and I. I. Oleynik, AIP Conf. Proc. 1202, 1199 (2012)

Vibrational Excitation of a Molecule by a Resonance Current M. A. Kozhushner and I. I. Oleinik, J. Exp. Theor. Phys. 115, 759 (2012)

Two-Temperature Thermodynamic and Kinetic Properties of Transition Metals Irradiated by Femtosecond Lasers N. A. Inogamov, Y. V. Petrov, V. V. Zhakhovsky, V. a. Khokhlov, B. J. Demaske, S. I. Ashitkov, K. V. Khishchenko, K. P. Migdal, M. B. Agranat, S. I. Anisimov, V. E. Fortov, and I. I. Oleynik, AIP Conf. Proc. 608, 593 (2012)

Ultrashort Elastic and Plastic Shockwaves in Aluminum N. Inogamov, V. Khokhlov, Y. Petrov, S. Anisimov, V. V. Zhakhovsky, B. J. Demaske, I. I. Oleynik, S. I. Ashitkov, K. V. Khishchenko, M. Agranat, V. Fortov, and C. T. White, AIP Conf. Proc. 912, 909 (2012)

MD Simulations of Laser-Induced Ultrashort Shock Waves in Nickel B. J. Demaske, V. V. Zhakhovsky, N. Inogamov, C. T. White, and I. I. Oleynik, AIP Conf. Proc. 1166, 1163 (2012)

Evolution of Metastable Elastic Shock Waves in Nickel B. J. Demaske, V. V. Zhakhovsky, C. T. White, and I. I. Oleynik, AIP Conf. Proc. 1306, 1303 (2012)

A New Nickel EAM Potential for Atomistic Simulations of Ablation, Spallation, and Shock-Wave Phenomena B. J. Demaske, V. V. Zhakhovsky, C. T. White, and I. I. Oleynik, AIP Conf. Proc. 1214, 1211 (2012)

Effect of Reactive Chemistry on Mechanisms of Condensed Phase Detonation M. M. Budzevich, V. V. Zhakhovsky, C. T. White, and I. I. Oleynik, AIP Conf. Proc. 1282, 1279 (2012)

Strength of Metals in Liquid and Solid States at Extremely High Tension Produced by Femtosecond Laser Heating S. I. Ashitkov, N. A. Inogamov, P. S. Komarov, V. V. Zhakhovsky, I. I. Oleynik, M. B. Agranat, G. I. Kanel, and V. E. Fortov, AIP Conf. Proc. 120, 120 (2012)

Shock-Induced Phase Transitions in Metals: Recrystallization of Supercooled Melt and Melting of Overheated Solids M. M. Budzevich, V. V. Zhakhovsky, C. T. White, and I. I. Oleynik, AIP Conf. Proc. 1270, 1267 (2012)

Atomic and Electronic Structure of Graphene/Sn-Ni(111) and Graphene/Sn-Cu(111) Surface Alloy Interfaces L. Adamska, R. Addou, M. Batzill, and I. I. Oleynik, Appl. Phys. Lett. 101, 051602 (2012)

Formation of Nanocavities in the Surface Layer of an Aluminum Target Irradiated by a Femtosecond Laser Pulse S. I. Ashitkov, N. A. Inogamov, V. V. Zhakhovskii, Y. N. Emirov, M. B. Agranat, I. I. Oleinik, S. I. Anisimov, and V. E. Fortov, JETP Lett. 95, 176 (2012)

Atomic and Electronic Structure of Simple Metal/Graphene and Complex Metal/Graphene/Metal Interfaces L. Adamska, Y. Lin, A. J. Ross, M. Batzill, and I. I. Oleynik, Phys. Rev. B 85, 195443 (2012)

Evolution of Shock-Induced Orientation-Dependent Metastable States in Crystalline Aluminum M. M. Budzevich, V. V. Zhakhovsky, C. T. White, and I. I. Oleynik, Phys. Rev. Lett. 109, 125505 (2012)

Shock-Induced Phase Transition in Diamond Y. Lin, R. Perriot, V. V. Zhakhovsky, X. Gu, C. T. White, I. I. Oleynik, and V. V. Zhakovsky, AIP Conf. Proc. 1426, 1171 (2011)

Two-Zone Elastic-Plastic Single Shock Waves in Solids V. V. Zhakhovsky, M. M. Budzevich, N. A. Inogamov, I. I. Oleynik, and C. T. White, Phys. Rev. Lett. 107, 135502 (2011)

Graphene Growth on Ni(111) by Transformation of a Surface Carbide. J. Lahiri, T. Miller, L. Adamska, I. I. Oleynik, and M. Batzill, Nano Lett. 11, 518 (2011)

Graphene Growth and Stability at Nickel Surfaces J. Lahiri, T. S Miller, A. J Ross, L. Adamska, I. I. Oleynik, and M. Batzill, New J. Phys. 13, 025001 (2011)

Hydrostatic and Uniaxial Compression Studies of 1,3,5-Triamino- 2,4,6-Trinitrobenzene Using Density Functional Theory with van der Waals Correction M. M. Budzevich, A. C. Landerville, M. W. Conroy, Y. Lin, I. I. Oleynik, and C. T. White, J. Appl. Phys. 107, 113524 (2010)

An Extended Defect in Graphene as a Metallic Wire J. Lahiri, Y. Lin, P. Bozkurt, I. I. Oleynik, and M. Batzill, Nat. Nanotechnol. 5, 326 (2010)

Equations of State for Energetic Materials from Density Functional Theory with van der Waals, Thermal, and Zero-point Energy Corrections A. C. Landerville, M. W. Conroy, M. M. Budzevich, Y. Lin, C. T. White, and I. I. Oleynik, Appl. Phys. Lett. 97, 251908 (2010)

Electron-Plasmon Interactions in Resonant Molecular Tunnel Junctions L. Adamska, M. A. Kozhushner, and I. I. Oleynik, Phys. Rev. B 81, 035404 (2010)

Molecular Dynamics Simulations of Femtosecond Laser Ablation and Spallation of Gold B. J. Demaske, V. V. Zhakhovsky, N. A. Inogamov, I. I. Oleynik, and C. Phipps, AIP Conf. Proc. 1278, 121 (2010)

Ablation and Spallation of Gold Films Irradiated by Ultrashort Laser Pulse B. J. Demaske, V. V. Zhakhovsky, N. A. Inogamov, and I. I. Oleynik, Phys. Rev. B 82, 64113 (2010)

Prediction of Isothermal Equation of State of an Explosive Nitrate Ester by van der Waals Density Functional Theory A. C. Landerville, M. W. Conroy, I. I. Oleynik, and C. T. White, J. Phys. Chem. Lett. 1, 346 (2010)

Rectification and Stability of a Single Molecular Diode with Controlled Orientation J. Hihath, Y. Lee, L. Yu, L. Adamska, M. A. Kozhushner, I. I. Oleynik, and N. Tao, Nat. Chem. 1, 635 (2009)

Computational Nanomechanics of Graphene Membranes R. Perriot, X. Gu, and I. I. Oleynik, MRS Proc. 1185 (2009)

Density Functional Theory Calculations of Solid Nitromethane under Hydrostatic and Uniaxial Compressions with Empirical van der Waals Correction M. W. Conroy, I. I. Oleynik, S. V Zybin, and C. T. White, J. Phys. Chem. A 113, 3610 (2009)

Physical and Chemical Properties of a New Energetic Material Si-PETN Y. Lin, M. M. Budzevich, A. C. Landerville, I. I. Oleynik, and C. T. White, AIP Conf. Proc. 1195, 474 (2009)

Reactive Molecular Dynamics of Detonating PETN A. C. Landerville, C. T. White, and I. I. Oleynik, AIP Conf. Proc. 1195, 813 (2009)

Molecular Dynamics Simulations of Shock-Induced Defect Healing in Silicon X. Gu, Y. Lin, I. I. Oleynik, and C. T. White, AIP Conf. Proc. 1195, 793 (2009)

Hydrostatic Equation of State and Anisotropic Constitutive Relationships in 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB) M. Budzevich, M. Conroy, A. Landerville, Y. Lin, I. Oleynik, and C. T. White, AIP Conf. Proc. 1195, 545 (2009)

First-Principles Investigation of Reactive Molecular Dynamics in Detonating RDX and TATB I. I. Oleynik, A. C. Landerville, and C. T. White, AIP Conf. Proc. 817, 817 (2009)

Reactive Molecular Dynamics of Hypervelocity Collisions of PETN Molecules A. C. Landerville, I. I. Oleynik, and C. T. White, J. Phys. Chem. A 113, 12094 (2009)

First-Principles Studies of Hydrostatic and Uniaxial Compression of a New Energetic Material -an Energetic Nitrate Ester M. W. Conroy, a. C. Landerville, I. I. Oleynik, and C. T. White, AIP Conf. Proc. 1195, 482 (2009)

Shear Stresses in Shock-Compressed Diamond from Density Functional Theory I. I. Oleynik, A. Landerville, S. V Zybin, M. L. Elert, and C. T. White, Phys. Rev. B 78, (2008)

First-Principles Investigation of Anisotropic Constitutive Relationships in Pentaerythritol Tetranitrate M. Conroy, I. Oleynik, S. Zybin, and C. White, Phys. Rev. B 77, 094107 (2008)

Density Functional Theory Calculations of Anisotropic Constitutive Relationships in Alpha-Cyclotrimethylenetrinitramine M. W. Conroy, I. I. Oleynik, S. V. Zybin, and C. T. White, J. Appl. Phys. 104, 113501 (2008)

A Mechanism for Crystal Twinning in the Growth of Diamond by Chemical Vapour Deposition J. E. Butler and I. I. Oleynik, Philos. Trans. A. Math. Phys. Eng. Sci. 366, 295 (2008)

Shear Stresses in Shock-Compressed Diamond from Density Functional Theory I. I. Oleynik, A. C. Landerville, S. V Zybin, M. L. Elert, and C. T. White, Phys. Rev. B 78, 180101 (2008)

Molecular Dynamics Simulations of an Anomalous Response of Diamond to Shock Compression K. McLaughlin, I. I. Oleynik, S. V. Zybin, M. L. Elert, and C. T. White, AIP Conf. Proc. 955, 321 (2007)

First-Principles Reactive Molecular Dynamics of Chemistry in Detonating Energetic Materials A. Landerville, I. I. Oleynik, M. A. Kozhushner, and C. T. White, AIP Conf. Proc. 955, 447 (2007)

Anisotropic Constitutive Relationships in Energetic Materials: PETN and HMX M. Conroy, I. I. Oleynik, S. V. Zybin, and C. T. White, AIP Conf. Proc. 955, 361 (2007)

Anisotropic Constitutive Relationships in Energetic Materials: Nitromethane and RDX I. I. Oleynik, M. Conroy, and C. T. White, AIP Conf. Proc. 955, 401 (2007)

Interface Effects in Spin-Dependent Tunneling E. Y. Tsymbal, K. D. Belashchenko, J. Velev, S. S. Jaswal, M. Vanschilfgaarde, I. I. Oleynik, and D. A. Stewart, Prog. Mater. Sci. 52, 401 (2007)

Shear Stresses in Shock-Compressed Covalent Solids I. I. Oleynik, S. V. Zybin, M. L. Elert, and C. T. White, AIP Conf. Proc. 845, 417 (2006)

Nanoscale Molecular Dynamics Simulaton of Shock Compression of Silicon I. I. Oleynik, S. V Zybin, M. L. Elert, and C. T. White, AIP Conf. Proc. 845, 413 (2006)

Rectification Mechanism in Diblock Oligomer Molecular Diodes I. I. Oleynik, M. A. Kozhushner, V. S. Posvyanskii, and L. Yu, Phys. Rev. Lett. 96, 096803 (2006)

Energetic Materials at High Compression: First-Principles Density Functional Theory and Reactive Force Field Studies I. I. Oleynik, M. Conroy, S. V Zybin, L. Zhang, A. C. Van Duin, W. A. Goddard, and C. T. White, AIP Conf. Proc. 845, 573 (2006)

Bound States of Tunneling Electrons in Molecular Chains M. A. Kozhushner, V. S. Posvyanskii, and I. I. Oleynik, Phys. Rev. B 74, 165103 (2006)

Tunneling and Resonant Conductance in One-Dimensional Molecular Structures M. A. Kozhushner, V. S. Posvyanskii, and I. I. Oleynik, Chem. Phys. 319, 368 (2005)

Positive Spin Polarization in Co∕Al2O3∕Co Tunnel Junctions Driven by Oxygen Adsorption K. Belashchenko, E. Tsymbal, I. Oleynik, and M. van Schilfgaarde, Phys. Rev. B 71, 224422 (2005)

Interatomic Bond-Order Potentials and Structural Prediction D. G. Pettifor and I. I. Oleynik, Prog. Mater. Sci. 49, 285 (2004)

Metal-Oxide Interfaces in Magnetic Tunnel Junctions I. I. Oleynik and E. Y. Tsymbal, Interface Sci. 12, 105 (2004)

Effect of Interface Bonding on Spin-Dependent Tunneling from the Oxidized Co Surface K. D. Belashchenko, E. Y. Tsymbal, M. van Schilfgaarde, D. A. Stewart, I. I. Oleynik, and S. S. Jaswal, Phys. Rev. B 69, 174408 (2004)

Spin-dependent Tunneling from Clean and Oxidized Co Surfaces K. D. Belashchenko, E. Y. Tsymbal, M. van Schilfgaarde, D. a. Stewart, I. I. Oleynik, and S. S. Jaswal, J. Magn. Magn. Mater. 272-276, 1954 (2004)

Nanoscale Modeling of Shock Deformation of Diamond S. V. Zybin, I. I. Oleynik, M. L. Elert, and C. T. White, MRS Proc. 800, 299 (2003)

Atomic, Electronic, and Magnetic Properties of Magnetic Tunnel Junctions I. I. Oleynik and E. Y. Tsymbal, J. Appl. Phys. 93, 6429 (2003)

Analytic Bond-Order Potential for Open and Close-Packed Phases D. G. Pettifor and I. I. Oleinik, Phys. Rev. B 65, 172103 (2002)

Spin Injection into Amorphous Semiconductors E. Tsymbal, V. Burlakov, and I. Oleinik, Phys. Rev. B 66, 073201 (2002)

Bond-Order Potentials: Bridging the Electronic to Atomistic Modelling Hierarchies D. G. Pettifor, I. I. Oleinik, D. Nguyen-Manh, and V. Vitek, Comput. Mater. Sci. 23, 33 (2002)

Atomic and Electronic Structure of Co/SrTiO3/Co Magnetic Tunnel Junctions I. I. Oleinik, E. Y. Tsymbal, and D. G. Pettifor, Phys. Rev. B 65, 020401 (2001)

Structural and Electronic Properties of Co/Al2O3/Co Magnetic Tunnel Junction from First Principles I. I. Oleinik, E. Y. Tsymbal, and D. G. Pettifor, Phys. Rev. B 62, 3952 (2000)

Theoretical Study of Chemical Reactions on CVD Diamond Surfaces I. I. Oleinik, D. G. Pettifor, A. P. Sutton, and J. E. Butler, Diam. Relat. Mater. 9, 241 (2000)

Bounded Analytic Bond-Order Potentials for σ and π Bonds D. G. Pettifor and I. I. Oleinik, Phys. Rev. Lett. 84, 4124 (2000)

Analytic Bond-Order Potentials Beyond Tersoff-Brenner. I. Theory D. G. Pettifor and I. I. Oleinik, Phys. Rev. B 59, 8487 (1999)

Analytic Bond-Order Potentials: Bridging The Electronic-Atomistic Length-Scale Gap I. I. Oleinik, M. Aoki, J. E. Butler, A. P. Sutton, Oxford Univ. Press 1 (1999)

Analytic Bond-Order Potentials Beyond Tersoff-Brenner. II. Application to the Hydrocarbons I. I. Oleinik and D. G. Pettifor, Phys. Rev. B 59, 8500 (1999)

Etching Effects During the Chemical Vapor Deposition of (100) Diamond C. C. Battaile, D. J. Srolovitz, I. I. Oleinik, D. G. Pettifor, A. P. Sutton, S. J. Harris, and J. E. Butler, J. Chem. Phys. 111, 4291 (1999)

Surface Chemistry of CVD Diamond: Linking the Nanoscale and Mesoscale Modelling Hierarchies I. I. Oleinik, D. G. Pettifor, A. P. Sutton, C. C. Battaile, D. J. Srolovitz, and J. E. Butler, MRS Proc. 538, 275 (1998)

Tunneling Dynamics of Electrons and Effective Tunneling Potential G. K. Ivanov, M. A. Kozhushner, and I. I. Oleinik, Surf. Sci. 363, 360 (1996)

Direct and Inverse Problems in the Theory of Scanning Tunneling Microscopy G. K. Ivanov, M. A. A. Kozhushner, and I. I. Oleinik, Surf. Sci. 331-333, 1191 (1995)

Materials Simulation Laboratory

Oleynik Group

Department of Physics, University of South Florida

Publications