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HPC-Related Research at CWRU

RESEARCH PUBLICATIONS

Please find the research works below that has been aided by High Performance Computing Cluster at Case Western Reserve University (journal articles, poster, and presentations).


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.

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.
  • Kalp, M., Sheri, A., Buynak, J.D., Bethel, C.R., Bonomo R.A., and Carey, P.R. “Efficient inhibition of class A and class D β-Lactamases by Michaelis complexes.” J. Biol. Chem. 282, 21588-91, 2007.
  • M. Stetner, D.M. Taylor “Evaluating Synchrony Between Neurons as a Signal for Brain Computer Interfaces” Intersections SOURCE Symposium, Cleveland, OH, April 2007. (1st Place Winner, poster competition; engineering category)

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
  • E. Allahyarov and P. L. Taylor, “Correlation between structure and conductivity of stretched Nafion”, J. Phys. Chem. (submitted)
  • 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.
  • Gavin A. Buxton, The Fate of a Polymer Nanoparticle Subject to Flow-Induced Shear Stresses. Europhys. Lett. 84 26006 (2008).
  • Kalp, M. and Carey, P. R. "Carbapenems and SHV-1 beta-lactamase form different acyl-enzyme populations in crystals and solution", Biochemistry, 47, 11830-11837 (2008).
  • Totir M.A., Cha, J., Wang B., Sheri, A., Anderson, V.E., Buynak J., Mobashery, S., and Carey, P.R. “Why tazobactam and Sublactam Are Poor Inhibitors of OXA-10 β-Lactamase: Raman Crystallographic Evidence” Biochemistry, (2008) 47, 4094-4101.
  • Gong, B., Chen, Y., Christian, E. L., Chen, J.-H., Chase, E., Chadalavada, D. M., Yajima, R., Golden, B. L., Bevilacqua, Carey, P. R., J. Amer. Chem. Soc. 130, 9670-9672 (2008).

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
  • Gavin A. Buxton, Sandra L. Siedlak, George Perry and Mark A. Smith. There and Back Again: A Numerical Tale of Microtubule Dynamics. Submitted.
  • Gavin A. Buxton, Alexander Alexeev, O. Berk Usta and Anna C. Balazs. Using Synthetic Cilia to Regulate the Transport of Microscopic Particles. Submitted.
  • Rajat Ghosh, Gavin A. Buxton, O. Berk Usta, Anna C. Balazs, and Alexander Alexeev. Designing oscillating cilia that capture or release microscopic particles. Accepted in Langmuir.
  • Ernest Durbin and Gavin A. Buxton. Controlling Drug Release using Responsive Polymer Core-Shell Nanoparticles. Submitted to Soft Matter: Responsive and Active Soft Materials issue.
  • Gavin A. Buxton, N. Clarke and P. J. Hussey. Actin Dynamics and the Elasticity of Cytoskeletal Networks. Accepted in Express Polymer Letters.
  • Gavin A. Buxton, Ultrathin, dynamic and groovy: the physics of Dutcher films. Annu. Rep. Prog. Chem., Sect. C: Phys. Chem. (2009)
  • Yang J, Ma YQ, Page RC, Misra S, Plow EF, Qin J. Structure of an integrin alphaIIb beta3 transmembrane-cytoplasmic heterocomplex provides insight into integrin activation. Proc Natl Acad Sci U S A. 2009 Oct 20;106(42):17729-34. Epub 2009 Oct 1. PubMed PMID: 19805198; PubMed Central PMCID: PMC2764936.
  • Kalp, M., Bethel. C. R., Bonomo, R. A. and Carey, P. R. "Why extended-spectrum beta-lactamases SHV-2 and SHV-5 are "hypersusceptible" to mechanism-based inhibitors". Biochemistry, 48, 9912-9920 (2009).
  • Kalp, M., Totir, M. A., Buynak, J. D., and Carey, P. R. "Different intermediate populations formed by tazobactam, sulbactam, and clavulanate reacting with SHV-1 beta-lactamases: Raman crystallographic evidence." J. Amer. Chem. Soc, 131, 2338-2347 (2009).
  • Qingfu Feng, Joseph Abraham, Tao Feng, Yeunjoo Song, Robert C Elston, Xiaofeng Zhu, BMC Genetics. In press
  • “Predicting Reversible Potentials of Reactions on Electrode Surfaces from Internal and Gibbs Energies”, Talk given by A. B. Anderson, at the 38th Great Lakes Regional Meeting of the American Chemical Society, Lincolnshire Il May13-16, 2009.
  • “Theories for Predicting Reversible Potentials of Reactions on Electrode Surfaces from Internal and Gibbs Energies: Applications to ORR”, talk given by A. B. Anderson at Brookhaven National Laboratory, August 26, 2009.
  • “Theories for Predicting Reversible Potentials of Reactions on Electrode Surfaces from Internal and Gibbs Energies: Applications to ORR”, talk given by A. B. Anderson at the Pittsburgh-Cleveland Catalysis Society Meeting, October 9, 2009.
  • "Theory for Coverage Dependence of Reversible Potential for H2O Oxidation on Pt(111) in Acid", F. Tian, and A. B. Anderson, poster presentation at the 215th Electrochemical Society Meeting, San Francisco CA May 24-29, 2009.
  • “Electroreduction of O2 on Selenium Nanotubes: Theoretical Prediction”, K. A. Kurak and A. B. Anderson, poster presentation at the 215th Electrochemical Society Meeting, San Francisco CA May 24-29, 2009.
  • F. Tian, R. Jinnouchi, and A. B. Anderson, “How Potentials of Zero Charge and Potentials for Water Oxidation to OH(ads) on Pt(111) Electrodes Vary With Coverage”, J. Phys. Chem. C 113, 17484-17492 (2009).
  • Rudick, C.S., Mihos, J.C., Frey, L.H. , and McBride, C.K., "Tidal Streams of Intracluster Light", The Astrophysical Journal, 699, 1518 (2009)
  • Elshad Allahyarov and Philip L. Taylor, "Predicted electric-field-induced hexatic structure in an ionomer membrane", Phys. Rev. E 80, 020801(R) (2009)
  • Elshad Allahyarov, Philip L. Taylor, and Hartmut Löwen, "Simulation study of sulfonate cluster swelling in ionomers", Phys. Rev. E 80, 061802 (2009)
  • Morris NJ, Elston RC and Stein CM. “Calculating Asymptotic Significance Levels of the Constrained Likelihood Ratio Test with Application to Multivariate Genetic Linkage Analysis.” Statistical Applications in Genetics and Molecular Biology, v. 8 issue 1, 2009, p. 39.
  • Morris NJ, Elston RC and Stein CM (2009) Robust Score Tests for Multivariate Linkage Analysis. Poster presentation at the 2009 Meeting of the American Society of Human Genetics.

  • S.J. Fleming, H.F. McGinnis, S. Sarkar, H. Baskaran, & P.J. Thomas. "Analysis of gradient sensing based on maximum likelihood." Poster presented to conference of the Society for Mathematical Biology.  Vancouver, Canada. July 2009.
  • "Using Intracluster Light to Weigh Galaxy Clusters", conference talk by Chris Mihos at the international conference "Unveiling the Mass: Extracting and Interpreting Galaxy Masses", Kingston, Ontario, June 2009.
  • Kalp, M., Buynak, J. D. and Carey, P. R. "Role of E166 in the Imine to Enamine Tautomerism of the Cllinical beta-Lactamase Inhibitor Sulbactam" Biochemistry, (2009) 48, 10196-98.
  • Guo, M., Spitale, R. C., Volpini, R., Krucinska, J., Cristalli, G., Carey, P. R., and Wedekind, J. E. "Direct Raman Measurement of an Elevated Base pKa in the Active Site of a Small Ribozyme in a Pre-Catalytic Conformation" J. Amer. Chem. Soc., (2009) 131, 12908-9.
  • Chen, J.-H., Gong, B., Bevilacqua, P. C., Carey, P. R., and Golden, B. L. "A Catalytic Metal Interacts with the Cleavage Site G.U Wobble in the HDV Ribozyme" Biochemistry, (2009) 48, 498-507.
  • Gong, B., Chen, J.-H., Yajima, R., Chen, Y., Chase, E., Chadalavada, D. M., Golden, B. L., Carey, P. R., Bevilacqua, P. C. "Raman crystallography of RNA" Methods, (2009)
  • Gong, B., Chen, J. H.,  Golden, B. L., Bevilacqua, P. C., and Carey, P. R. “Competition Between Co(NH3)63+and Inner-sphere Mg2+in the HDV Ribozyme”. Biochemistry., (2009) 48: 11961-70

  • Y.-T. Tseng and J. S. T'ien: The Effect of Different Pyrolysis Descriptions on flame spread over Solids in Concurrent Flows, 6th U.S. National Combustion Meeting, Ann Arbor, Michigan 2009
  • S.-Y. Hsu, Y.-T. Tseng and J.S. T’ien, “Modeling flame spread and extinction of solids in space exploration atmospheres,” International Conference on Environmental Systems, Fire Safety in Spacecraft and Enclosed Habitats, 09ICES-0333/2009-01-2492, 2009

  • Kyle E. Niemeyer, Chih-Jen Sung, Mandhapati P. Raju, "Skeletal mechanism generation for surrogate fuels using directed relation graph with error propagation and sensitivity analysis," Combustion and Flame 57 (2010) 1760-1770. doi:10.1016/j.combustflame.2009.12.022

2010

  • Tivadar Orban, Grzegorz Bereta, Masaru Miyagi, Benlian Wang, Mark R. Chance, Marcelo Carlos Sousa, and Krzysztof Palczewski, "Conformational Changes in Guanylate Cyclase-Activating Protein 1 Induced by Ca2+ and N-Terminal Fatty Acid Acylation", Structure 18, 116–126 (2010).
  • K. A. Kurak and A. B. Anderson, “Selenium: a Nonprecious Metal Cathode Catalyst fort Oxygen Electroreduction”, J. Electrochem. Soc. 157, B173-B179 (2010).

  • Alfred B. Anderson, Jamal Uddin, and Ryosuke Jinnouchi, “Solvent Effects on OH(ads) Reduction on Pt(111) Electrodes”, under revision.

  • Elshad Allahyarov, Philip L. Taylor, and Harmut Löwen, "Simulation study of field-induced morphological changes in a proton-conducting ionomer", Phys. Rev. E 81, 031805 (2010).

  • "The Formation and Evolution of Intracluster Light", conference talk by Craig Rudick at the 2010 Meeting of the American Astronomical Society, Washington, DC, January 2010.

  • Chen, Y., Eldho, N. V., Dayie, T. K., Carey, P.R., "Probing adenine rings and backbone linkages using base specific isotope-edited Raman spectroscopy: application to group II intron ribozyme domain V" Biochemistry, 49, 3427-35 (2010).

  • "Kinetic crystallography using Raman microscopy", Invited talk by Paul Carey to the American Crystallography Association, Chicago. July 2010.

  • "The Raman revolution in structural biology", Invited talk by Paul Carey to the Int Conf Raman Spectrosc. Boston. August 2010.

  • Y. Chen, P. Carey et al "Following RNA initiation in RNAPolymerase crystals by Raman microscopy", Poster at the meeting of the American Chem Soc, San Francisco, March 2010.

  • Bo Gong, P. Carey, et al., "Measuring individual pKas in crystals of the Glms ribozyme be Raman crystallography", Poster at the meeting of the American Chem Soc, San Francisco, March 2010.

  • S.-Y. Hsu and J.S. T’ien, “Flame spread over solids in buoyant and forced concurrent flows: Model computations and comparison with experiments,” 33rd International Symposium on Combustion, Beijing, China, Aug. 1-6, 2010.
  • S.-Y. Hsu and J.S. T’ien, “Flame spread over solids in buoyant and forced concurrent flows: Model computations and comparison with experiments,” Proc. of Combust. Inst. 33, In Press.

  • Ya-Ting Tseng, James S. T’ien: Limiting Length, Steady Spread and Non-growing Flames in Concurrent Flow over Solids, Journal of Heat Transfer, September 2010, Vol. 132, Issue 9.

  • M. Shoham, V. Khodaveridan*, M. Pesho*, B. Truitt*, L. Bollinger and P. Patel, Discovery of Antipathogenic Agents Against MRSA, 50th Interscience Conference on Antimicrobial Agents and Chemotherapy (ICAAC), Boston, 12-15 September 2010, poster presentation

  • Wang, S.; Dormidontova, E. E.; Nanoparticle Design Optimization for Enhanced Targeting: Monte Carlo Simulations; Biomacromolecules, 2010, 11, 1785-1795.

  • Wang, S.; Dormidontova, E. E.; Monte Carlo Simulation of Metallo-Supramolecular Micelles; Macromolecular Rapid Communications, 2010, 31, 897-903

  • Li, Z.; Dormidontova, E. E.  Kinetics of diblock copolymer micellization by dissipative particle dynamics; Macromolecules 2010, 43 3521. 

  • Li, Z.; Djohari, H.; Dormidontova, E. E. Molecular dynamics simulations of supramolecular polymer rheology; J. Chem. Phys. 2010 accepted.

  • Wang, S.; Hagy, M. C.; Dormidontova, E. E.; “Comparisons of polymer layer and nanoparticle targeting”, ACS National Meeting, March 2010, San Francisco CA

  • Djohari, H.; Wang, S.; Dormidontova, E. E.; “Role of tether length in nanoparticle”, ACS National Meeting, March 2010, San Francisco CA

  • Li, Z.; Dormidontova, E. E. Dissipative particles dynamics simulations of micellization kinetics, ACS National Meeting & Exposition, March 21, 2010 San Francisco, CA



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