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Andrew Chizmeshya

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School of Molecular Sciences
Associate Professor
Faculty, TEMPE Campus, Mailcode 1604
Biography: 

Andrew Chizmeshya's current research interests span a broad range of topics in computational physical chemistry and materials science including mineral and geological carbon sequestration, predictive simulation of novel thin-film and bulk semiconductor systems, computer-based design of materials and the use of computer modeling in nanoscience and nanotechnology education.

Chizmeshya earned his master's and doctorate from Queen's University in Kingston, Canada, with a specialization in physisorption and density functional theory. He held a postdoctoral fellowship in computational chemistry at the U.S. Department of Energy's National Engineering Laboratory in Idaho, where he developed computer simulations for the prediction of thermoelastic behavior in complex ionic compounds. He then joined Arizona State University's Center for Solid State Science as a research scientist, where he fostered the development of the Goldwater Materials Visualization Facility and co-founded the US-DOE-funded Carbon Sequestration Research Group.

CV
Binary Data Curriculum Vitae
Education: 

Ph.D. Queen's University (Kingston) Canada 1992

Research Interests: 

Simulation of Semiconductor Properties: Ourresearch in this area involves an intimate contact with experimental thrusts in various areas of semiconductor science ranging from the synthesis process to the characterization of a broad range of physical and chemical properties. The quantitative simulation of chemical vapor deposition (CVD) processes used to grow new semiconductor systems requires a highly quantitative treatment of gas-gas and gas-solid interactions. As new gas phase sources emerge they often drive synthesis/growth conditions into unconventional regimes, making the insight from simulations invaluable. We use first principles quantum chemistry methods to study the vibrational, optical and chemical properties of new molecular precursor molecules, while theoretical solid state techniques are used to study the thermoelastic and dielectric behavior of bulk and thin-film semiconductors. We also carry out large scale quantum molecular dynamics simulations to study precursor decomposition and/or deposition, hydrogen desorption clustering reactions as well as solid state phenomena such as elemental diffusion. Current research focus areas include: (i) predictive simulation of the Raman and IR spectra of metastable random semiconductor alloys, (ii) epitaxial stabilization of semiconductor heterostructures, (iii) simulation-based prediction of new wide-band gap boron based alloys and interfaces.

Carbon Sequestration: Fossil fuels currently provide 85% of the world’s energy needs, with the majority coming from coal, due to its low cost, wide availability, and high energy content. CO 2 mineral sequestration - the conversion of stationary-source CO 2 emissions into mineral carbonates - has recently emerged as one of the most promising greenhouse gas mitigation options, providing permanent CO 2 disposal, rather than storage. Magnesium-bearing feedstock minerals (serpentine or olivine) are specially processed and allowed to react with CO 2 under controlled conditions to produce a mineral carbonate (MgCO– 3) which is both environmentally benign and stable on a geological time scale. Current research focus areas include: (1) predictive first-principles simulations of complex reaction processes among the gaseous, liquid and solid reactants and products, (2) in situ synchrotron studies of CO 2 mineralization using a novel high- pressure hydrothermal micro-reactor cell, (3) large scale classical molecular dynamics simulations of non-ideal, high-concentration supercritical aqueous solutions. Other research interests also include: (1) simulation-based prediction of novel materials, (2) theory and simulation of low-temperature surface phenomena such physisorption, wetting transitions and quantum reflection, and (3) nanoscience and nanotechnology education ( http://joxer.eas.asu.edu/NUE).

Publications: 
  • C. Nisr, H. Chen, K. Leinenweber, A. Chizmeshya, V.B. Prakapenka, C. Prescher, S.N. Tkachev, Y. Meng, Z. Liu, S. Shim, Large H2O solubility in dense silica and its implications for the interiors of water-rich planets.  Proceedings of the National Academy of Sciences of the United States of America (2020).
  • C. Nisr, S.-H. Shim, K.D. Leinenweber, A.V.G. Chizmeshya. Raman Spectroscopy of Water-rich Stishovite and Dense High-Pressure Silica up to 55 GPa. American Mineralogist (2017).
  • J. Kouvetakis, R. Favaro, G.J. Grzybowski, C. Senaratne, J. Menendez and A.V.G. Chizmeshya*. Molecular Strategies for Configurational Sulfur Doping of Group IV Semiconductors Grown on Si(100) Using S(MH3)2 (M = Si,Ge) Delivery Sources: An Experimental and Theoretical Inquiry. Chemistry of Materials (2014).
  • L. Jiang, T. Aoki, D.J. Smith, A.V.G. Chizmeshya, J. Menendez and J. Kouvetakis. Nanostructure-Property Control in AlPSi3/Si(100) Semiconductors Using Direct Molecular Assembly: Theory Meets Experiment at the Atomic Level. Chemistry of Materials (2014).
  • T. Aoki, L. Jiang, A.V.G. Chizmeshya, J. Menendez, J. Kouvetakis and D.J. Smith. Nano-Characterization of Emerging Photovoltaic Materials and Devices: Atomic Scale Studies of Structure and Bondiing in AlPSi¬3 Alloys Grown Lattice-matched on Si(001). Microscopy and Microanalysis (2014).
  • C. Xu, R.T. Beeler, L. Jiang, G.J. Grzybowski, A.V.G. Chizmeshya, J. Menendez and J. Kouvetakis. New Strategies for Ge-on-Si Materials and Devices using Non-conventional Hydride Chemistries: the Tetragermane Case. Semiconductor Science and Technology (2013).
  • G.J. Grzybowski, A.V.G. Chizmeshya, C. Senaratne, J. Menendez and J. Kouvetakis. Fundamental Experimental and Theoretical Aspects of High-order Ge-hydride Chemistry for Versatile Low-temperature Ge-based Materials Fabrication. Journal of Materials Chemistry C (2013).
  • L. Jiang, P.E. Sims, G.J. Grzybowski, R.T. Beeler, A.V.G. Chizmeshya, D.J. Smith, J. Kouvetakis and J. Menendez. Nanoscale Assembly of Silicon-like [Al(As1-xNx)]ySi5-2y Alloys: Fundamental Theoretical and Experimental Studies of Structural and Optical Properties. Physical Review B (2013).
  • P.E. Sims, A.V.G. Chizmeshya, L. Jiang, R.T. Beeler, C.D. Poweleit, J. Gallagher, D.J. Smith, J. Menendez and J. Kouvetakis. Rational Design of Monocrystalline (InP)yGe5-2y/Ge/Si(100) Semiconductors: Synthesis and Optical Properties. Journal of the American Chemical Society (2013).
  • R.T. Beeler, J. Gallagher, C. Xu, L. Jiang, C. Senaratne, D.J. Smith, J. Menendez, A.V.G. Chizmeshya and J. Kouvetakis. Band Gap-engineered Group-IV Optoelectronic Semiconductors, Photodiodes and Prototype Photovoltaic Devices. ECS Journal of Solid State Science and Technology (2013).
  • A.V.G. Chizmeshya, J. Kouvetakis, G. Grzybowski, R. Beeler and J. Menendez. Nano-synthesis Approach to the Fabrication of Monocrystalline Silicon-like (III-V)yIV5-2y Semiconductors. Electrochemical Society Transactions (2012).
  • Chi Xu, R.T. Beeler, G.J. Grzybowski, A.V.G. Chizmeshya, D.J. Smith, J. Menendez and J. Kouvetakis. Molecular Synthesis of High-Performance Near-IR Photodetectors with Independently Tunable Structural and Optical Properties Based on Si-Ge-Sn. Journal of the American Chemical Society (2012).
  • G. Grzybowski, R. Beeler, L. Jiang, A.V.G. Chizmeshya, J. Kouvetakis, and J. Menéndez. GeSn alloys on Si using deuterated stananne and higher- order germanes: synthesis and properties. Electrochemical Society Transactions (2012).
  • G. Grzybowski, T. Watkins, R.T. Beeler, L. Jiang, D.J. Smith, A.V.G. Chizmeshya, J. Kouvetakis and J. Menendez. Synthesis and Properties of Monocrystalline Al(As1-xPx)Si3 Alloys on Si(100). Chemistry of Materials (2012).
  • Gordon Grzybowski, Liying Jiang, Richard T. Beeler, Tylan Watkins, Andrew V.G. Chizmeshya, Chi Xu, Jose Menendez and John Kouvetakis. Ultra-Low-Temperature Epitaxy of Ge-based Semiconductors and Optoelectronic Structures on Si(100): Introducing Higher Order Germanes (Ge3H8, Ge4H10). Chemistry of Materials (2012).
  • J. Kouvetakis, Andrew V.G. Chizmeshya, Liying Jiang, Tylan Watkins, Gordon Grzybowski, Richard T. Beeler. Monocrystalline Al(As1-xNx)Si3 and Al(P1-xNx)ySi5-2y Alloys with Diamond-like Structures: New Chemical Approaches to Semiconductors Lattice Matched to Si. Chemistry of Materials (2012).
  • T. Watkins, L. Jiang, A.V.G. Chizmeshya, D.J. Smith, J. Menendez and J. Kouvetakis. (Si)5-2y(AlP)y alloys assembled on Si(100) from Al-P-Si3 building units. Applied Physics Letters (2012).
  • A.V.G. Chizmeshya, J. Kouvetakis, G. Grzybowski, R. Beeler and J. Menendez. Nano-synthesis Approach to the Fabrication of Monocrystalline Silicon-like (III-V)yIV5-2y Semiconductors. Electrochemical Society Transactions (2012).
  • G. Grzybowski, R. Beeler, L. Jiang, A.V.G. Chizmeshya, J. Kouvetakis, and J. Menéndez. GeSn alloys on Si using deuterated stananne and higher- order germanes: synthesis and properties. Electrochemical Society Transactions (2012).
  • C. Weng, J. Kouvetakis and A.V.G. Chizmeshya. A novel predictive model for formation enthalpies of Si and Ge hydrides with propane- and butane-like structures. Journal of Computational Chemistry (2011).
  • R. Beeler, R. Roucka, A.V.G. Chizmeshya, J. Kouvetakis and J. Menéndez. Non-linear structure-composition relationships in the Ge1-ySny/Si(100) (y<0.15) system. Physical Review B (2011).
  • R.T. Beeler,, G.J. Grzybowski, R. Roucka, L. Jiang, J. Mathews, D.J. Smith, J. Menendez, and J. Kouvetakis. Synthesis and Materials Properties of Sn/P-Doped Ge on Si(100): Photoluminescence and Prototype Devices. Chemistry of Materials (2011).
  • T. Watkins, A.V.G Chizmeshya, L. Jiang, D. J. Smith, R. Beeler, G. Grzybowski, C. Poweleit, J. Menéndez and J. Kouvetakis. Nanosynthesis routes to new tetrahedral crystalline solids: Silicon-like Si3AlP. Journal of the American Chemical Society (2011).
  • Tylan Watkins, Liying Jiang, D.J. Smith, A.V.G. Chizmeshya, J. Menendez and J. Kouvetakis. Designer hydride routes to "Si-Ge"/(Gd,Er)2O3/Si(111) semiconductor-on-insulator heterostructures. Semiconductor Science and Technology (2011).
  • C. Weng, J. Kouvetakis and A.V.G. Chizmeshya. Si-Ge-based Oxynitrides: From Molecules to Solids. Chemistry of Materials (2010).
  • J. B. Tice, V. R. D’Costa, Gordon Grzybowski, A. V. G. Chizmeshya, J. Tolle, J. Menendez, and J. Kouvetakis. Synthesis and Optical Properties of Amorphous Si3N(4-x)P(x)x Dielectrics and Complementary Insights from ab Initio Structural Simulations. Chemistry of Materials (2010).
  • J. Kouvetakis, J. Mathews, R. Roucka, A.V.G. Chizmeshya,J. Tolle and J. Menendez. Practical Materials Chemistry Approaches for Tuning Optical and Structural Properties of Group IV Semiconductors and Prototype Photonic Devices. IEEE PHOTONICS JOURNAL (2010).
  • J.B. Tice, A.V.G. Chizmeshya, J. Tolle, V.R. D’Costa, J. Menendez and J. Kouvetakis. Practical routes to (SiH3)3P: Applications in group IV semiconductor activation and in group III-V molecular synthesis. Dalton Transactions (2010).
  • J.Q. Xie, A.V.G. Chizmeshya, J. Tolle, V.R. D’Costa, J. Menendez and J. Kouvetakis. Synthesis, Stability Range, and Fundamental Properties of Si-Ge-Sn Semiconductors Grown Directly on Si(100) and Ge(100) Platforms. Chemistry of Materials (2010).
  • R. Roucka, Y.Y. Fang, J. Kouvetakis, A.V.G. Chizmeshya and J. Menendez. Thermal expansivity of Ge1-ySny alloys. Physical Review B (2010).
  • Richard Beeler, Jay Mathews, Change Weng, John Tolle, Radek Roucka, A.V.G. Chizmeshya, Reid Juday, Sampriti Bagchi, José Menéndez and John Kouvetakis. Comparative study of InGaAs integration on bulk Ge and virtual Ge/Si(1 0 0) substrates for low-cost photovoltaic applications. Solar Energy Materials and Solar Cells (2010).
  • A. V. G. Chizmeshya and J. Kouvetakis. "Practical strategies for tuning optical, structural and thermal Properties in Group IV ternary semiconductors". ECS Transactions (2010).
  • J. Tolle, R. Roucka, B. Forrest, A.V.G. Chizmeshya, J. Kouvetakis, J.R. D’Costa, D. Christian, M. Groenert, T. Takemoto and J. Menendez. Integration of Zn-Cd-Te-Se Semiconductors on Si Platforms via Structurally Designed Cubic Templates Based on Group IV Elements. Chemistry of Materials (2009).
  • J. Xie, J. Tolle, V.R. D’Costa, A.V.G. Chizmeshya, J. Menendez and J. Kouvetakis. Direct Integration of Active Ge1-x(Si4Sn)x Semiconductors on Si(100). Applied Physics Letters (2009).
  • Jesse B. Tice, Change Weng, John Tolle, Vijay R. D’Costa, Rachna Singh, Jose Menendez, John Kouvetakis and Andrew V.G. Chizmeshya. Ether-like Si-Ge hydrides for Applications in Synthesis of Nanostructured Semiconductors and Dielectrics. Dalton Transactions (2009).
  • Jesse B. Tice, Andrew V.G. Chizmeshya, Thomas L. Groy and John Kouvetakis. Synthesis and Fundamental Properties of Stable Ph3SnSiH3 and Ph3SnGeH3 Hydrides: Model Compounds for the Design of Si-Ge-Sn Photonic Alloys. Inorganic Chemistry (2009).
  • Junqi Xie, J. Tolle, V.R. D’Costa, C. Weng, Andrew V.G. Chizmeshya, J. Menendez and J. Kouvetakis. Molecular Approaches to p- and n- doping of Ge1-ySny Semiconductors: Structural, Electrical and Transport Properties. Solid-State Electronics (2009).
  • Y.-Y. Fan, J. Tolle, V.R. D’Costa, J. Menendez, A.V.G. Chizmeshya and J. Kouvetakis. Practical B and P doping via SixSnyGe1-x-y-zMz quaternaries lattice matched to Ge: structural, electrical and strain behavior. Applied Physics Letters (2009).
  • Fang, Yan-Yan; Xie, Junqi; Tolle, John; Roucka, Radek; D'Costa, Vijay R.; Chizmeshya, Andrew V. G.; Menendez, Jose; Kouvetakis, John. Molecular-Based Synthetic Approach to New Group IV Materials for High-Efficiency, Low-Cost Solar Cells and Si-Based Optoelectronics. Journal of the American Chemical Society (2008).
  • Kouvetakis, John; An, Yu Jing; D'Costa, Vijay R.; Tolle, John; Chizmeshya, Andrew V. G.; Menendez, Jose; Roucka, Radek. Synthesis of (Hf, Zr)B2-based heterostructures: hybrid substrate systems for low temperature Al-Ga-N integration with Si. Journal of Materials Chemistry (2008).
  • Po-Liang Liu, John Kouvetakis, and A. V. G. Chizmeshya. Structural, Electronic and Energetic properties of SiC[111]/ZrB2[0001] Heterojunctions: A first principles DFT study. Physical Review B (2008).
  • Ravi Shivaraman, A. V. G. Chizmeshya, S. K. Dey, R. W. Carpenter. Structure of Low Loss EELS in Hf and Zr Metal, Dioxides and Silicates. Microscopy and Microanalysis (2008).
  • Roucka, R.; An, Y.-J.; Chizmeshya, A. V. G.; D'Costa, V. R.; Tolle, J.; Menendez, J.; Kouvetakis, J. Structural and optical properties of ZrB2 and HfxZr1-xB2 films grown by vicinal surface epitaxy on Si(111) substrates. Solid-State Electronics (2008).
  • J Kouvetakis, Andrew Chizmeshya. New classes of Si-based photonic materials and device architectures via designer molecular routes. Journal of Materials Chemistry (2007).
  • J Kouvetakis, J Menendez, J Tolle, R Roucka, V D'Costa, Y Fang, Andrew Chizmeshya. Perfectly Tetragonal, Tensile Strained Ge on Ge1-ySny Buffered Si(100). Applied Physics Letters (2007).
  • J. Tice, Andrew Chizmeshya, A. Chizmeshya, R. Roucka, J. Tolle, B. Cherry, J. Kouvetakis. "ClnH6- nSiGe Compounds for CMOS Compatible Semiconductor Applications: Synthesis and Fundamental Studies". Journal of the American Chemical Society (2007).
  • Andrew Chizmeshya, John Tolle, Vijay D'Costa, José Menéndez, John Kouvetakis. Low temperature CVD of Si-based compounds via trisilane [SiH3SiH2SiH3]: Metastable SiSn/GeSn/Si(100) heterostructures. Applied Physics Letters (2006).
  • C Hu, C Ritter, I Tsong, J Kouvetakis, J Tolle, R Nieman, Andrew Chizmeshya. Synthesis of Butane-Like SiGe Hydrides: Enabling Precursors for CVD of Ge-Rich Semiconductors. Journal of the American Chemical Society (2006).
  • Hamdallah Bearat, Michael McKelvy, Andrew Chizmeshya, Deirdre Gormley, Ryan Nunez, R Carpenter, Kyle Squires, George Wolf. Carbon Sequestration via Aqueous Olivine Mineral Carbonation: Role of Passivating Layer Formation. Environmental Science & Technology (2006).
  • John Kouvetakis, J Menendez, Andrew Chizmeshya. Tin-based group IV semiconductors: new platforms for opto- and microelectronics on silicon. Annual Review of Materials Research (2006).
  • Chizmeshya, Andrew, Drucker, J, Sharma, R, Carpenter, R. Realtime Nanostructure Imaging for Teaching Nanoscience and Nanotechnology. (2006).
  • McKelvy, Michael, Chizmeshya, Andrew, Andrew, V., Soignard, Emmanuel, Marzke, Robert, Wolf, George, Bearat, Hamdallah, Doss, Brandon. Laboratory investigation of fluid/solid sequestration reaction processes under in situ sequestration process conditions. (2006).
  • McKelvy, Michael, Chizmeshya, Andrew, Soignard, Emmanuel, Marzke, Robert, Wolf, George, Béarat, Hamdallah, Doss, Brandon. Investigation of Fluid/Solid Sequestration Reaction Processes under In Situ Sequestration Process Conditions. (2006).
  • Tolle, John, Roucka, Radek, D'Costa, Vijay, Menendez, Jose, Chizmeshya, Andrew, Kouvetakis, John. Sn-based group-IV semiconductors on Si: new infrared materials and new templates for mismatched epitaxy. (2006).
  • A Bell, C Hu, D Kim, F Ponce, I Tsong, J Kouvetakis, J Tolle, S Mahajan, Andrew Chizmeshya. Epitaxial growth of ZrB2(0001) on Si(111) for III-nitride applications. A review. Chinese Journal of Physics (2005).
  • C Hu, Cole Ritter, I Tsong, J Menéndez, J Tolle, Andrew Chizmeshya, John Kouvetakis. Low-temperature pathways to Ge-rich Si1-xGex alloys via single-source hydride chemistry. Applied Physics Letters (2005).
  • C Ritter, C Hu, Andrew Chizmeshya, J Tolle, D Klewer, I Tsong, J Kouvetakis. Synthesis and Fundamental Studies of (H3Ge)xSiH4-x Molecules: Precursors to Semiconductor Hetero- and Nanostructures on Si. Journal of the American Chemical Society (2005).
  • J Diefenbacher, Michael McKelvy, Andrew Chizmeshya, George Wolf. Externally controlled pressure and temperature microreactor for in situ x-ray diffraction, visual and spectroscopic reaction investigations under supercritical and subcritical conditions. Review of Scientific Instruments (2005).
  • P Liu, Andrew Chizmeshya, J Kouvetakis, I Tsong. First Principles Studies of GaN(0001) Heteroexpitaxy on ZrB2(0001). Physical Review B (2005).
  • R Carpenter, Andrew Chizmeshya. Structure of Low-Loss EELS in Rhenium. Microscopy and Microanalysis (2005).
  • R Roucka, J Tolle, Andrew Chizmeshya, Ignatius Tsong, John Kouvetakis. Epitaxial film growth of zirconium diboride on Si(001). Journal of Crystal Growth (2005).
  • R Roucka, J Tolle, C Cook, Andrew Chizmeshya, John Kouvetakis, V D'Costa, J Menendez, Zhihao Chen, S Zollner. Versatile buffer layer architectures based on Ge1-xSnx alloys. Applied Physics Letters (2005).
  • R Trivedi, J Tolle, Andrew Chizmeshya, R Roucka, Cole Ritter, John Kouvetakis, Ignatius Tsong. Low-temperature GaN growth on silicon substrates by single gas-source epitaxy and photo-excitation. Applied Physics Letters (2005).
  • Rahul Trivedi, Po-Liang Liu, Radek Roucka, John Tolle, Andrew Chizmeshya, Ignatius Tsong, John Kouvetakis. Mismatched Heteroepitaxy of Tetrahedral Semiconductors with Si via ZrB2 Templates. Chemistry of Materials (2005).
  • Y-C Kim, R Nunez, Ray Carpenter, Andrew Chizmeshya, Michael McKelvy. The Nanoscale Mechanism for San Carlos Olivine Carbonation. Microscopy and Microanalysis (2005).
  • Z Wang, Y Yamada-Takamura, Y Fujikawa, T Sakurai, Q Xue, J Tolle, P-L Liu, Andrew Chizmeshya. Surface and Interface Studies of GaN Epitaxy on Si(111) via ZrB2 Buffer Layers. Physical Review Letters (2005).
  • McKelvy, Michael, Diefenbacher, Jason, Chizmeshya, Andrew, Wolf, George, Marzke, Robert, Bearat, Hamdallah. Enhancing the observation of above and below ground carbon sequestration processes under in situ pressure and temperature conditions. (2005).
  • Michael, J, Chizmeshya, Andrew, Diefenbacher, Jason, Bearat, Hamdallah, Carpenter, R, Wolf, George, Gormley, Deirdre. Developing an atomic-level understanding of the mechanisms that govern CO2 sequestration mineral carbonation reaction processes. (2005).
  • C Hu, I Tsong, J Kouvetakis, J Tolle, Andrew Chizmeshya. Nucleation and growth of epitaxial ZrB2(0 0 0 1) on Si(1 1 1). Journal of Crystal Growth (2004).
  • George Wolf, Andrew Chizmeshya, Jason Diefenbacher, Michael McKelvy. In Situ Observation of CO2 Sequestration Reactions Using a Novel Microreaction System. Environmental Science and Technology (2004).
  • M Shemkunas, William Petuskey, Andrew Chizmeshya, K Leinenweber, George Wolf. Hardness, elasticity, and fracture toughness of polycrystalline spinel germanium nitride and tin nitride. Journal of Materials Research (2004).
  • Michael McKelvy, Andrew Chizmeshya, Jason Diefenbacher, Hamdallah Bearat, George Wolf. Exploration of the Role of Heat Activation in Enhancing Serpentine Carbon Sequestration Reactions. Environmental Science and Technology (2004).
  • P Aella, C Cook, J Tolle, S Zollner, Andrew Chizmeshya, J Kouvetakis. Optical and structural properties of SixSnyGe1-x-y alloys. Applied Physics Letters (2004).
  • Renu Sharma, Michael McKelvy, Hamdallah Bearat, Andrew Chizmeshya, R Carpenter. In-situ nanoscale observations of the Mg(OH)2 dehydroxylation and rehydroxylation mechanisms. Philosophical Magazine (2004).
  • Chizmeshya, Andrew, McKelvy, M, Gormley, D, Nunez, R, Kim, Y, Carpenter, R. CO2 Mineral Carbonation Processes in Olivine Feedstock: Insights from the Atomic Scale simulation. (2004).
  • Andrew Chizmeshya, M Bauer, J Kouvetakis. Experimental and Theoretical Study of Deviations from Vegard's Law in the SnxGe1-x System. Chemistry of Materials (2003).
  • Andrew Chizmeshya, M McKelvy, R Sharma, R Carpenter, H Bearat. Density functional theory study of the decomposition of Mg(OH)2: a lamellar dehydroxylation model. Materials Chemistry and Physics (2003).
  • J Tolle, R Roucka, Ignatius Tsong, Andrew Chizmeshya, John Kouvetakis. Epitaxial growth of group III nitrides on silicon substrates via a reflective lattice-matched zirconium diboride buffer layer. Applied Physics Letters (2003).
  • Matthew Bauer, Candi Cook, Pavan Aella, John Tolle, Andrew Chizmeshya, John Kouvetakis, David Smith, Stefan Zollner, Peter Crozier. SnGe Superstructure Materials for Si-Based Infrared Optoelectronics. Applied Physics Letters (2003).
  • Peter Laurence, A Garvie, Andrew Chizmeshya. The Giant Core Hole Effect in Electron Energy Loss Spectroscopy. Microscopy and Microanalysis (2003).
  • R Roucka, J Tolle, Andrew Chizmeshya, P Crozier, C Poweleit, D Smith, J Kouvetakis, Ignatius Tsong. Epitaxial growth of the pseudo-binary wide band gap semiconductor SiCAlN. Applied Surface Science (2003).
  • Ryan Nunez, Youngchul Kim, R Carpenter, Michael McKelvy, Andrew Chizmeshya, Hamdallah Bearat. Interfacial-Reaction Study of San Carlos Olivine Carbonation. Microscopy and Microanalysis (2003).
  • Bauer, Matthew, Tolle, John, Chizmeshya, Andrew, Zollner, S, Menendez, J, Kouvetakis, J. New Ge-Sn materials with adjustable bandgaps and lattice constants. (2003).
  • Bearat, Hamdallah, McKelvy, Michael, Chizmeshya, Andrew, Nunez, Ryan, Carpenter, R. Investigations of the mechanisms that govern carbon dioxide sequestration via aqueous olivine mineral carbonation. (2003).
  • Chizmeshya, Andrew, McKelvy, Michael, Wolf, George, Kocher, Michael, Gormley, Deirdre. Quantum simulation studies of olivine mineral carbonation. (2003).
  • H Bearat, M McKelvy, Andrew Chizmeshya, R Sharma, R Carpenter. Magnesium Hydroxide Dehydroxylation/Carbonation Reaction Processes: Implications for Carbon Dioxide Mineral Sequestration. J. Am. Ceram. Soc (2002).
  • J Tolle, R Roucka, P Crozier, Andrew Chizmeshya, Ignatius Tsong, J Kouvetakis. Growth of SiCAlN on Si(111) via a crystalline oxide interface. Appl. Phys. Lett (2002).
  • M Bauer, J Taraci, J Tolle, Andrew Chizmeshya, S Zollner, David Smith, J Menendez, Changwu Hu, J Kouvetakis. Ge-Sn Semiconductors for Band-gap and Lattice Engineerging. Appl. Phys. Lett (2002).
  • R Roucka, J Tolle, Andrew Chizmeshya, P Crozier, C Poweleit, D Smith, I Tsong, J Kouvetakis. Low-Temperature Epitaxial Growth of the Quanternary Wide Band Gap Semiconductor SiCAlN. Phys. Rev. Lett (2002).
  • Renu Sharma, M McKelvy, Hamdallah Bearat, Andrew Chizmeshya, R Carpenter. Developing a Mechanistic Understanding of CO2 Mineral Sequestration Process for Power Plants. Microscopy and Microanalysis (2002).
  • Chizmeshya, Andrew, Sankey, Otto, McKelvy, Michael, Sharma, R, Carpenter, R, Wolf, George, Bearat, Hamdallah, Diefenbacher, Jason. Atomic-level Understanding of CO2 Mineral Carbonation Mechanisms from Advanced Computational Modeling. (2002).
  • McKelvy, Michael, Sharma, R, Carpenter, R, Wolf, George, Chizmeshya, Andrew, Bearat, Hamdallah, Diefenbacher, Jason. Developing a Mechanistic Understanding of Serpentine CO2 Mineral Carbonation Reaction Processes. (2002).
  • . Novel Synthetic Pathways to Wide Bandgap Seminconductors in the Si-C-Al-N System. (2002).
  • Michael McKelvy, Renu Sharma, Andrew Chizmeshya, R Carpenter, Ken Streib. Magnesium Hydroxide Dehydroxylation: In Situ Nanoscale Observations of Lamellar Nucleation and Growth. Chem. Mater (2001).
  • Michael McKelvy, V Pizziconi, P Mitan, Kirsten Hintze, Eric Patrick, K Allagadda, B Ramakrishna, Carrie Denny, Brandt Pryor, Andrew Chizmeshya. Why Does a Light Bulb Burn Out?. J. Mater Education (2001).
  • Doak, R B (Author) ,Chizmeshya, Andrew V (Author) . Sufficient Conditions for Quantum Reflection with Realistic Gas-surface Interaction Potentials. Atomic and Molecular Beams: The State of the Art 2000, Part I (2001).
  • McKelvy, Michael, Chizmeshya, Andrew, Béarat, Hamdallah, Sharma, Renu, Carpenter, R. Developing a Mechanistic Understanding of Lamellar Hydroxide Mineral Carbonation Reaction Processes to Reduce CO2 Mineral Sequestration Process Cost. (2001).
  • McKelvy, Michael, Chizmeshya, Andrew, Bearat, Hamdallah, Sharma, Renu, Carpenter, R. Developing a mechanistic understanding of CO2 mineral sequestration reaction processes. (2001).
  • McKelvy, Michael, Mitan, P, Hintze, Kirsten, Patrick, Eric, Allagadda, K, Ramakrishna, B, Denny, Carrie, Pryor, Brandt, Chizmeshya, Andrew, Pizziconi, V. Why Does a Light Bulb Burn Out?. (2001).
  • G Moore, Andrew Chizmeshya, P McMillan. Calibration of a reflectance FTIR method for determination of dissolved CO2 concentration in rhyolitic glasses. Geochim. Cosmochim. Acta (2000).
  • R Doak, Andrew Chizmeshya. Sufficiency Conditions for Quantum Reflection. Europhys. Lett (2000).
  • McKelvy, Michael, Chizmeshya, Andrew, Béarat, Hamdallah, Sharma, Renu, Carpenter, R. Developing an Atomic-Level Understanding to Enhance CO2 Mineral Sequestration Reaction Processes via Materials and Reaction Engineering. (2000).
  • McKelvy, Michael, Chizmeshya, Andrew, Bearat, Hamdallah, Sharma, Renu, Carpenter, R. Developing an atomic-level understanding to enhance CO2 mineral sequestration reaction processes via materials and reaction engineering. (2000).
  • McKelvy, Michael, Sharma, Renu, Chizmeshya, Andrew, Béarat, Hamdallah, Carpenter, R. Mg(OH)2 Dehydroxylation: Implications for Enhancing CO2 Mineral Sequestration Reaction Processes. (2000).
Research Activity: 
Fall 2020
Course NumberCourse Title
CHM 494Special Topics
MSE 524Advanced Thermodynamics
CHM 541Advanced Thermodynamics
NAN 591Seminar
CHM 598Special Topics
Spring 2020
Course NumberCourse Title
CHM 346Physical Chemistry II
NAN 591Seminar
Fall 2019
Course NumberCourse Title
MSE 524Advanced Thermodynamics
CHM 541Advanced Thermodynamics
NAN 591Seminar
Spring 2019
Course NumberCourse Title
CHM 346Physical Chemistry II
BCH 392Intro to Research Techniques
CHM 392Intro to Research Techniques
BCH 492Honors Directed Study
CHM 492Honors Directed Study
BCH 493Honors Thesis
CHM 493Honors Thesis
NAN 591Seminar
Fall 2018
Course NumberCourse Title
BCH 392Intro to Research Techniques
CHM 392Intro to Research Techniques
CHM 492Honors Directed Study
BCH 492Honors Directed Study
BCH 493Honors Thesis
CHM 493Honors Thesis
MSE 524Advanced Thermodynamics
CHM 541Advanced Thermodynamics
NAN 591Seminar
Summer 2018
Course NumberCourse Title
CHM 392Intro to Research Techniques
BCH 392Intro to Research Techniques
Spring 2018
Course NumberCourse Title
CHM 346Physical Chemistry II
NAN 591Seminar
Fall 2017
Course NumberCourse Title
CHM 543Computational Chemistry
NAN 591Seminar
Spring 2017
Course NumberCourse Title
CHM 346Physical Chemistry II
NAN 591Seminar
Fall 2016
Course NumberCourse Title
CHM 341Elementary Physical Chemistry
NAN 591Seminar
Spring 2016
Course NumberCourse Title
CHM 543Computational Chemistry
Presentations: 
  • Andrew V.G. Chizmeshya and John Kouvetakis. Structural and Thermochemical Aspects of (III-V)IV3 Material Assembly from First Principles. American Physical Society March Meeting (Mar 2014).
  • A.V.G. Chizmeshya (presenter), J. Kouvetakis, G. Grzybowski, R. Beeler and J. Menendez. Nano-synthesis Approach to the Fabrication of Monocrystalline Silicon-like (III-V)yIV5-2y Semiconductors. ECS-PRiME – Pacific Rim Meeting on Electrochemical and Solid-state Science, Honolulu HI (Oct 2012).
  • Andrew V.G. Chizmeshya. In Situ Mineral Sequestration Reaction Studies in ‘Above Ground’ and Geological setting. 2nd U.S.-China Symposium on CO2 Emissions Control Science & Technology (May 2009).
  • A.V.G. Chizmeshya. CO2 Sequestration via Mineralization: In Situ Reaction Studies in Above Ground and Geological setting. INVITED TALK: Shell Global Solutions International BV, 1030 BN Amsterdam (Jan 2009).
  • Marzke, Robert, Chizmeshya, Andrew, Wolf, George, McKelvy, Michael, Ito, Naoki, Bearat, Hamdallah, Doss, Brandon. Investigating geological sequestration reaction processes under In Situ process conditions. 32nd International Technical Conference on Coal Utilization and Fuel Systems (May 2007).
  • Chizmeshya, Andrew, Stanzione, D. Nanomaterials Simulation using High Performance Computing: From Greenhouse Gases to High-Tech Materials. 19th International Conference for High Performance Computing (Nov 2006).
  • McKelvy, Michael, Chizmeshya, Andrew, Marzke, Robert, Soignard, Emmanuel, Wolf, George, Béarat, Hamdallah, Doss, Brandon. Laboratory Investigation of Fluid/Solid Sequestration Reaction Processes under In Situ Sequestration Process Conditions. The 31st International Technical Conference on Coal Utilization & Fuel Systems (May 2006).
  • Chizmeshya, Andrew. Adventures in Computational Materials Chemistry. Departmental Colloquium (Apr 2006).
  • D'Costa, Vijay, Menendez, Jose, Chizmeshya, Andrew, Tolle, John, Kouvetakis, John. Structural, Vibrational, and Electronic Properties of Ternary SiGeSn Alloys. American Physical Society Annual Meeting (Mar 2006).
  • Chizmeshya, Andrew. CLEAN CONSUMPTION OF FOSSIL FUELS in the 21st CENTURY: CARBON SEQUESTRATION. (Feb 2006).
  • Carpenter, R, Chizmeshya, Andrew. Structure of Low-Loss EELS in Rhenium. 2005 Microscopy Society of America Meeting: Microscopy and Microanalysis (Jul 2005).
  • Kim, Y, Nunez, R, Carpenter, R, Chizmeshya, Andrew, McKelvy, M. The Nanoscale Mechanism for San Carlos Olivine Carbonation. 2005 Microscopy Society of America Meeting: Microscopy and Microanalysis (Jul 2005).
  • McKelvy, Michael, Chizmeshya, Andrew, Sharma, R. Lamellar Reaction Phenomena: from Intercalation to Nanomaterials Formation. 13th International Symposium on Intercalation Compounds (Jun 2005).
  • McKelvy, M, Chizmeshya, Andrew, Diefenbacher, J, Bearat, H, Carpenter, R, Wolf, G. Furthering the Mechanistic Understanding of Above-Ground CO2 Mineral Sequestration Reaction Processes. The 30th International Technical Conference on Coal Utilization & Fuel Systems (Apr 2005).
  • Chizmeshya, Andrew. Simulation, Visualization and Predictive Modeling at the Atomic and Molecular Scale. History and Philosophy of Science (Apr 2005).
  • McKelvy, M, Chizmeshya, Andrew, Diefenbacher, J, Bearat, H, Carpenter, R, Wolf, George, Gormley, D. Developing an atomic-level understanding of the mechanisms that govern CO2 sequestration mineral carbonation reaction processes. 2005 TMS Annual Meeting: EPD Congress (Feb 2005).
  • Chizmeshya, Andrew. Quantitative Prediction of Interaction Potentials for Weak-Binding Systems. Departmental Seminar (Nov 2004).
  • Kouvetakis, J, Tolle, J, Chizmeshya, Andrew, Bauer, M, Menendez, J. Synthesis of IR and UV optical materials using molecular chemistry. Institute of Physics, Academia Sinica (Oct 2004).
  • Kouvetakis, J, Tolle, J, Chizmeshya, Andrew, Bauer, M, Menendez, J. Sythesis of IR and UV optical Materials. Institute of Atomic and Molecular Science (Academia Sinica) (Sep 2004).
  • Kouvetakis, J, Menendez, J, Tolle, J, Chizmeshya, Andrew, Ritter, C. IR Semiconductors in the Si-Ge-Sn System. First International Silicon Photonics Conference (Sep 2004).
  • Cook, Candi, Tolle, J, Kouvetakis, J, Chizmeshya, Andrew, Menendez, J. Investigation of critical point transitions in SnGe alloys using photoreflectance spectroscopic ellipsometry. International conference in Physics of Semiconductors (Jun 2004).
  • Chizmeshya, Andrew. Enhancing the Atomic-Level Understanding of CO2 Mineral Sequestration Mechanisms via Advanced Computational Modeling. University Coal Research/Historically Black Colleges and Universities Conference (Jun 2004).
  • Chizmeshya, Andrew, McKelvy, Michael, Gormley, Deirdre, Nunez, Ryan, Kim, Youngchul, Carpenter, Ray. CO2 mineral carbonation processes in olivine feedstock: insights from the atomic scale simulation. 29th Coal Utilization and Fuel Systems Conference (Apr 2004).
  • Cook, Candi, Menendez, J, Zollner, S, Chizmeshya, Andrew, Tolle, J, Kouvetakis, J. Evaluation of the Electronic band Structure of a new Semiconductor Ternary using Si, Ge and Sn. Annual American Physical Society March Meeting (Mar 2004).
  • Tolle, John, Roucka, Radek, Ritter, Cole, Crozier, Peter, Chizmeshya, Andrew, Tsong, I, Kouvetakis, John. Epitaxial growth of group III nitrides on silicon substrates via a reflective lattice-matched zirconium diboride buffer layer. 226th ACS National Meeting (Sep 2003).
  • Chizmeshya, Andrew, McKelvy, Michael, Wolf, George, Sharma, Renu, Sankey, Otto, Bearat, Hamdallah, Diefenbacher, Jason, Carpenter, R. Quantum Simulation Studies of Olivine Mineral Carbonation. 27th International Technical Conference on Coal Utilization & Fuel Systems (Mar 2003).
  • Chizmeshya, Andrew. CO2 Mineral Sequestration: An Opportunity for Materials Science in Greenhouse Gas Mitigation Technology. Departmental Colloquium, Department of Physics and Astronomy (Nov 2002).
  • Chizmeshya, Andrew. Fundamental modeling of pre-carbonation treatment effects on serpentine and olivine feedstock. National Mineral Carbonation Working Group Meeting, U.S. Department of Energy, Office of Fossil Energy (Sep 2002).
  • Chizmeshya, Andrew. Application of First principles Simulation to CO2 Mineral Sequestration. 17th International Coal Conference (Mar 2002).
  • McKelvy, Michael, Chizmeshya, Andrew, Béarat, Hamdallah, Sharma, Renu, Carpenter, R, Diefenbacher, Jason, Wolf, George. Developing a Mechanistic Understanding of Lamellar Hydroxide Mineral Carbonation Reaction Processes. U.S. Department of Energy Workshop on CO2 Mineral Sequestration (Aug 2001).
  • McKelvy, Michael, Chizmeshya, Andrew, Béarat, Hamdallah, Sharma, Renu, Carpenter, R. Atomic-Level Imaging of CO2 Disposal as a Carbonate Mineral: Optimizing eaction Process Design. University Coal Research Contractors Review Conference (Jun 2001).
  • McKelvy, Michael, Chizmeshya, Andrew, Béarat, Hamdallah, Sharma, Renu, Carpenter, R. Developing a Mechanistic Understanding of CO2 Mineral Sequestration Reaction Processes. 26th International Technical Conference on Coal Utilization & Fuel Systems (Mar 2001).
  • McKelvy, Michael, Chizmeshya, Andrew, Béarat, Hamdallah, Sharma, Renu, Carpenter, R. Developing a Mechanistic Understanding of Lamellar Hydroxide Mineral Carbonation Reaction Processes to Reduce CO2 Mineral Sequestration Process Cost. First National Conference on Carbon Sequestration (Mar 2001).
  • McKelvy, Michael, Chizmeshya, Andrew, Béarat, Hamdallah, Sharma, Renu, Carpenter, R. Methods for Developing an Atomic-Level Understanding of Carbon Dioxide Mineral Sequestration Reaction Processes. 2001 SME Meeting (Feb 2001).
  • McKelvy, M, Sharma, R, Chizmeshya, Andrew, Bearat, H, Sharma, R, Carpenter, R. Developing and Atomic-Level Understanding to Enhance CO2 Mineral Sequestration Reaction Processes Process via Materials and Reaction Engineering. Proc. 17th International Pittsburgh Coal Conference (Sep 2000).
  • Chizmeshya, Andrew, Olsen, R, McKelvy, M. Atomic-Level Modeling of CO2 Disposal as a Carbonate Mineral: A Synergetic Approach to Optimizing Reaction Process Design. 21st Annual Combustion Research Conference, U.S. D.O.E. Office of Basic Energy Sciences (Jun 2000).
  • Chizmeshya, Andrew, Olsen, R, McKelvy, M. Atomic-Level Modeling of Mineral Carbonation Reaction Processes: Integrating Experiment with Theory. University Coal Research Contractors Meeting, National Energy Technology Laboratory (Jun 2000).
  • McKelvy, M, Sharma, R, Chizmeshya, Andrew, Carpenter, R, Bearat, H. Mg(OH)2 Dehydroxylation: Implications for Enhancing CO2 Mineral Sequestration Reaction Processes Process. Proceedings of the 25th International Technical Conference on Coal Utilization and Fuel Systems (Mar 2000).
  • Ramakrishna, B, Ong, E, Rowe, J, Chizmeshya, Andrew. Nanotechnlology Education : Exploring a Compact Dist Stamper. A National Educators' Workshop: Standard Experiments in Engineering, Materials Science, and Technology. - NASA CP-211029
  • Bearat, H, Chizmeshya, Andrew, Sharma, R, Barbet, A, Fuchs, M. Mechanistic and Computational Study of Cinnabar Phase Transformation : Applications and Implications toThe Preservation of This Pigment in Historical Paintings. The Third International Conference on Science and Technology in Archaeology and Conservation
  • Chizmeshya, Andrew. Ab Initio investigations of the initial dehydroxylation reactions in 1-T lizardite. Four Corners American Physical Society Regional Conference
  • Chizmeshya, Andrew. First Principles Simulation Studies of Mineral Carbonation Reaction Processes in Serpentines. 2nd Annual Conference on Carbon Sequestration
Service: 
  • Committee on Online Course Materials and Course Development, Member (2013 - Present)
  • Committee on Online Course Materials and Course Development, member (2012 - Present)
  • Committee on Online Course Materials and Course Development, member (2012 - Present)
  • Committee on Online Courses, Committee member (2011 - Present)
  • Committee on Undergraduate Programs, Member (2011 - Present)
  • Committee on Undergraduate Programs, Member (2011 - Present)
  • Committee on Undergraduate Programs, Member (2011 - Present)
  • Committee on Undergraduate Programs, Committee member (2011 - Present)
  • Computing Resources Committee, Chair (2011 - Present)
  • Computing Resources Committee, Chair (2011 - Present)
  • Computing Resources Committee, Chair (2011 - Present)
  • Computing Resources Committee, Chair (2011 - Present)
  • International Journal of Greenhouse Gas Control, Reviewer (2010 - Present)
  • Physica Status Solidi, Reviewer (2010 - Present)
  • Advanced Scientific Computing Research, Office of Science, US DOE, Proposal and Program Reviewer (2010 - Present)
  • Early Career Research Program, Office of Science, US DOE, Proposal Reviewer (2010 - Present)
  • Oak Ridge Institute for Science & Education (ORISE), Proposal Reviewer (2010 - Present)
  • Journal of the Electrochemical Society, Reviewer (2009 - Present)
  • Journal of the Electrochemical Society, Reviewer (2009 - Present)
  • Scripta Materialia, Reviewer (2009 - Present)
  • Chemistry of Materials, Reviewer (2008 - Present)
  • Ultramicroscopy, Referee (2005 - Present)
  • Applied Physics Letters, Reviewer (2002 - Present)
  • Applied Physics Letters, Reviewer (2002 - Present)
  • Environmental Science and Technology, Reviewer (2001 - Present)
  • Environmental Science and Technology, Reviewer (2001 - Present)
  • Alberta Ingenuity Fund, Porposal Reviewer (1999 - Present)
  • National Science Foundation, Proposal Reviewer (1999 - Present)
  • National Science Foundation, Proposal Reviewer (1999 - Present)
  • National Science Foundation, Proposal Reviewer (1999 - Present)
  • Petroleum Research Fund, Proposal Reviewer (1999 - Present)
  • Petroleum Research Fund, Proposal Reviewer (1999 - Present)
  • University Coal Research Program, DOE, Proposal Reviewer (1999 - Present)
  • University Coal Research Program, DOE, Proposal Reviewer (1999 - Present)
  • University Coal Research Program, DOE, Proposal Reviewer (1999 - Present)
  • National CO2 Mineral Sequestration Working Group, Founding Member (1998 - Present)
  • Physical Review B, Reviewer (1990 - Present)
  • Physical Review B, Referee (1990 - Present)
  • Physical Review Letters, Reviewer (1990 - Present)
  • Physical Review Letters, Reviewer (1990 - Present)
  • Physical Review Letters, Referee (1990 - Present)
  • Committee on Undergraduate Programs, Member (2010 - 2010)
  • Department & Instrument Facilities Committee, Member (2010 - 2010)
  • Fulton High Performance Computing Initiative Advisory Committee, Member (2006 - 2007)
  • Awards Committee, Committee member (2006 - 2006)
  • Computing Resources Committee, Committee member (2006 - 2006)
  • Argonne National Laboratory & Core Radiological certification (U.S. Department of Energy), Registered Synchrotron user (1998 - 2006)
  • Goldwater Materials Visualization Facility, Manager (2005 - 2006)
  • Center for Solid State Science, AA Representative (2005)
  • University Coal Research Program, Technical Program Reviewer (2005)
  • Search Committee (Business Manager search) Center for Solid State Science, Member (2004 - 2004)
  • Journal of Physics: Condensed Matter, Referee (2004)
  • Natioanl Educator's Conference, Reviewer/Judge (2004)
  • Acta Materialia, Referee (2003)
  • Applied Physics Letters, Referee (2003)
  • Laboratory Site Review Committee, Technical Reviewer (2003)
Expertise Areas: 
Inorganic and Materials Chemistry
Environmental Geochemistry
Physical Chemistry
Solid State Physics