Contents 1 2006 2 2007 3 2008 4 2009

[edit] 2006

• P. Larson and Walter R. L. Lambrecht, "Electronic structure of Gd pnictides calculated within the LSDA+U approach" Phys. Rev. B 74, 085108 (2006)

• P.L. Wintrode, "The dynamical properties of a metastable protein studied by molecular dynamics simulations and normal mode analysis" 1st Ohio Collaborative Conference on Bioinformatics, Athens, Ohio (2006).

• Walter R. L. Lambrecht and M. S. Miao. "Electronic driving force for stacking fault expansion in 4H-SiC" Phys. Rev. B 73, 155312 (2006)

• N. Duff, D. J. Lacks, J. Wang and E. K. Mann, "Molecular simulation of the self-assembly of bent-core molecules at water surfaces", Midwest Thermodynamics and Statistical Mechanics Conference, Akron, OH, May 2006.

• N. Duff, J. Wang, E.K. Mann, and D.J. Lacks, "Molecular Dynamics Investigation of Bent-Core Molecules on a Water Surface" Langmuir 22, 9082 (2006).

• M. S. Miao and Walter R. Lambrecht, "Electronic structure and magnetic properties of transition-metal-doped 3C and 4H silicon carbide" Phys. Rev. B 74, 235218 (2006)

• N. Duff and D. J. Lacks, "Mechanical Properties of Proteins: the Dynamic Energy Landscape" AIChE Annual Meeting, San Francisco, CA, November 2006.

• N. Duff, D. J. Lacks, J. Wang and E. K. Mann "Molecular simulation of the self-assembly of bent-core molecules at water surfaces" AIChE Annual Meeting, San Francisco, CA, November 2006.

[edit] 2007

• P. Larson, Walter R.L. Lambrecht, Athanasios Chantis, and Mark van Schilfgaarde, "Electronic structure of rare-earth nitrides using the LSDA+U approach: Importance of allowing 4f orbitals to break the cubic crystal symmetry" Phys. Rev. B 75, 045114 (2007)

• M.B. Hamaneh and P.L. Taylor, "Range of Interlayer Interactions in Smectic-C Liquid Crystals" Phys. Rev. E 75, 011703 (2007)

• Mehdi Bagheri Hamaneh and Matthias Buck, "Acceptable Protein and Solvent Behavior in Primary Hydration Shell Simulations of Hen Lysozyme" Biophysical Journal 92, L49-L51 (2007)

• Chandrima Mitra and Walter R. Lambrecht, "Band-gap bowing in AgGa(Se1-xTex)2 and its effect on the second-order response coefficient and refractive indices" Phys. Rev. B 76, 205206 (2007)

• Chandrima Mitra and Walter R. Lambrecht, "Large band-gap bowing in Cu1−xAgxGaS2 chalcopyrite semiconductors and its effect on optical parameters" Phys. Rev. B 76, 035207 (2007)

• Pavel Lukashev, Walter R. Lambrecht, Takao Kotani, and Mark van Schilfgaarde, "Electronic and crystal structure of Cu2-xS : Full-potential electronic structure calculations" Phys. Rev. B 76, 195202 (2007)

• Tula R. Paudel and Walter R. Lambrecht, "First-principles calculation of the zone center phonons in ZnSiN2: Comparison with infrared data" Phys. Rev. B 76, 115205 (2007)

• M. S. Miao and Walter R. Lambrecht, "Effects of vacancies and impurities on the relative stability of rocksalt and zincblende structures for MnN" Phys. Rev. B 76, 195209 (2007)

• J.M. Kimmel, R. M. Salter, and P.J. Thomas, "An Information Theoretic Framework for Eukaryotic Gradient Sensing", Advances in Neural Information Processing Systems 19, MIT Press, pp 705-712, 2007

• Elshad Allahyarov and Philip L. Taylor. "Role of electrostatic forces in cluster formation in a dry ionomer" The Journal of Chemical Physics 127, 154901 (2007)

• Elshad Allahyarov, "Conformational Structures in Dry Ionomers" Poster at CWRU Research ShowCASE (2007).

• K. Kumar, J.E. Freeh, C.J. Sung, and Y. Huang, "Laminar Flame Speeds of Preheated iso-Octane/O2/N2 and n-Heptane/O2/N2 Mixtures" Journal of Propulsion and Power 23 (2), 428-436 (2007).

• G. Mittal and C.J. Sung, "Autoignition of Toluene and Benzene at Elevated Pressures in a Rapid Compression Machine" Combustion and Flame 150, 355-368 (2007).

• K. Kumar and C.J. Sung, "Laminar Flame Speeds and Extinction Limits of Preheated n-Decane/O2/N2 and n-Dodecane/O2/N2 Mixtures" Combustion and Flame 151, 209-224 (2007).

• Y. Huang, C.J. Sung, and K. Kumar, "Ultra-Dilute Combustion of Primary Reference Fuels" Combustion Science and Technology 179 (11), 2361-2379 (2007).

• S.Y. Hsu, and J.S. T’ien, "Effect of Chemical Kinetics on Concurrent-flow Flame Spread over Solids: A Comparison between Buoyant flow and Forced Flow Cases" IMECE2007-42293, ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS AND EXPOSITION, Seattle, WA, November 11-15 2007.

• Y.T. Tseng, and J.S. T’ien, "Limiting Length and Non-growth of Flames in Concurrent Flow over Thick Solids" Eastern States Meeting/Combustion Institute, Charlottesville, VA. Oct. 21-24, 2007.

• X. Li and J Li, "Comparisons of haplotype inference from pedigree data and population data" BMC Proceedings 1:S55, 2007.

• G. Mittal, M.P. Raju, C. J. Sung, and K. P. Kundu, "A Computational Fluid Dynamics Study of a Rapid Compression Machine" Fall Technical Meeting of the Eastern States Section of the Combustion Institute, University of Virginia, VA, 2007.

• M.P. Raju and C.J. Sung, "Optimization of Combustion Application Codes using Sparse Matrix Techniques" Fall Technical Meeting of the Eastern States Section of the Combustion Institute, University of Virginia, VA, 2007.

• K. Kumar, G. Mittal, and C.J. Sung, "Autoignition of n-Decane under High Pressure Conditions" Fifth Joint Meeting of the U.S. Sections of the Combustion Institute, San Diego, CA, 2007.

• X. Zhang, "Further exploring the strength of prediction in the factorization of soft-decision Reed-Solomon decoding" IEEE Trans. on VLSI Systems, vol. 15(7), pp. 811-820, Jul. 2007.

• J. Zhu and X. Zhang, "Efficient interpolation architecture for soft-decision Reed-Solomon decoding" Proc. of IEEE Workshop on Signal Processing Systems, pp. 663-668, Shanghai, China, Oct. 2007.

[edit] 2008

• J. Li, "Prioritize and Select SNPs for Association Studies with Multi-stage Designs" Journal of Computational Biology. 15, 241–57 (2008)

• J. Li, and Y. Chen, "Generating samples for association studies based on HapMap data" BMC Bioinformatics 9, 44, 2008

• X. Zheng, P.L. Wintrode, and M.R. Chance, "Complementary Structural Mass Spectrometry Techniques Reveal Local Dynamics in Functionally Important Regions of a Metastable Serpin" Structure 16, 38-51 (2008)

• M.B. Hamaneh and P.L. Taylor, "Simulated anchoring of a nematic liquid crystal at a polymer surface" Physical Review E 77, 021707 (2008)

• Elshad Allahyarov, "Macrophase Ordering in Ionomers Under External Potential" Poster at CWRU Research ShowCASE 2008

• Zhenlong Li, Matthew C. Hagy, and Elena E. Dormidontova, "Dynamics of Amphiphile Self-assembly by DPD simulation" Poster at CWRU Research ShowCASE 2008

• Tula Paudel, "Theoretical study of native defects in Cadmium Germanium Arsenide" Poster at CWRU Research ShowCASE 2008

• P.L. Wintrode, "Exploring the link between folding, dynamics and metastability in human serpins" Gordon Research Conference on Biopolymers, Newport, RI, 2008

• N. Duff, E.K. Mann, and D.J. Lacks, "Molecular Dynamics Investigation of the Effects of a Water Surface on the Aggregation of Bent-Core Molecules" Langmuir 24, 4456 (2008)

• K. Forward, D.J. Lacks, and R.M. Sankaran, "Triboelectric Charging of Binary Granular Mixtures due solely to Particle-Particle Interactions" Electrostatics Society of America Annual Conference, Minneapolis, MN, June 2008

• X. Zheng, P.L. Wintrode, and M.R. Chance, "Complementary structural mass spectrometry techniques reveal local dynamics in functionally important regions of a metastable serpin" Structure 16, 1-14 (2008)

• Y. Tong, P.K. Hota, M.B. Hamaneh, and M. Buck, "Insights into Oncogenic Mutations of plexin-B1 based on the Solution Structure of the Rho GTPase Binding Domain Structure" Structure 16, 246-258 (2008)

• M.B. Hamaneh and P.L. Taylor, "Simulated Anchoring of a Nematic Liquid Crystal at a Polymer Surface" Virtual Journal of Biological Physics Research 15 (5) March 1, 2008

• M.B. Hamaneh and P.L. Taylor, "Simulated Anchoring of a Nematic Liquid Crystal at a Polymer Surface" Virtual Journal of Nanoscale Science & Technology 17 (11) March 17, 2008

• J. Zhu and X. Zhang, "Efficient VLSI architecture for soft-decision decoding of Reed-Solomon codes" to appear IEEE Trans. on Circuits & Systems –I, 2008.

• J. Zhu and X. Zhang, "Backward interpolation for algebraic soft-decision Reed-Solomon decoding" submitted to IEEE Trans. On VLSI Systems, Mar. 2008.

• J. Zhu, X. Zhang and Z. Wang, "Combined interpolation architecture for soft-decision decoding of Reed-Solomon codes" IEEE Conference on Computer Design, May 2008.

• G. Mittal, M.P. Raju, and C.J. Sung, "Computational Fluid Dynamics Modeling of a Rapid Compression Machine with Creviced Piston: Influence of Physical and Operating Parameters on its Performance" submitted.

• K. Kumar, G. Mittal, C.J. Sung, and C.K. Law, "An Experimental Investigation on Ethylene/O2/Diluent Mixtures: Laminar Flame Speeds with Preheat and Ignition Delays at High Pressures" Combustion and Flame 153, 343-354 (2008).

• G. Mittal, M.P. Raju, and C.J. Sung, "Computational Fluid Dynamics Modeling of Hydrogen Ignition in a Rapid Compression Machine" Combustion and Flame 155(3), 417-428, (2008)

• G. Mittal and C.J. Sung, “Homogeneous Charge Compression Ignition of Binary Fuel Blends,” Combustion and Flame 155, 431-439 (2008)

• M.P. Raju, and J.S. T’ien, "Modeling of candle burning with a self-trimmed wick" Combustion Theory and Modelling 12 (2), 367-388 (2008)

• M.P. Raju, and J.S. T’ien, "Development of Direct Multifrontal Solvers for Combustion Problems" Numerical Heat Transfer, Part B: Fundamentals 53(3), 189-205 (2008)

• M.P. Raju, and J.S. T’ien, "Two-Phase Flow inside an Externally Heated Axisymmetric Porous Wick" Journal of Porous Media 11(8), 701-718 (2008)

• J. Kleinhenz, I.I. Feier, S.Y. Hsu, J.S. T’ien, P.V. Ferkul, and K.R. Sacksteder, "Pressure modeling of upward flame spread and burning rates over solids in partial gravity" Combustion and Flame 154, 637-643 (2008)

• J. Zhu, X. Zhang and Z. Wang, "Backward interpolation for algebraic soft-decision Reed-Solomon decoding" IEEE Trans. on VLSI Systems, in press.

[edit] 2009

• E. Allahyarov and P. L. Taylor, "Simulation Study of the correlation between structure and conductivity in stretched Nafion" J. Phys. Chem. B 113, 610-617 (2009)

• K. Kamal, G. Mittal, and C.J. Sung, "Autoignition of n-Decane under Elevated Pressure and Low-to-Intermediate Temperature Conditions" Combustion and Flame 156, 1278-1288 (2009)

• X-L Yin and J Li, "A general graphical framework for detecting copy number variation" Accepted by Comput Syst Bioinformatics Conf (CSB2009) - http://csb2009.org/pdf/060Li.pdf

• X. Li and J. Li, "An almost linear time algorithm for a general haplotype solution on tree pedigrees with no recombination and its extensions" Journal of Bioinformatics and Computational Biology (JBCB), 7(3), 521-545 (2009)

• H. Djohari and E.E. Dormidontova, "Dissipative Particle Dynamics Simulations of Nanoparticle Targeting Dynamics" Poster at CWRU Research ShowCASE 2009

• H. Djohari and E.E. Dormidontova, "Dissipative Particle Dynamics Simulations of Micelle Targeting Dynamics" Central Regional Meeting of ACS, Cleveland, OH, May 2009

• H. Djohari and E.E. Dormidontova, "Kinetics of Nanoparticle Targeting by Dissipative Particle Dynamics Simulations" Biomacromolecules, available online (2009) - http://pubs.acs.org/doi/abs/10.1021/bm900785c