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My past, current, near and long-term future interests in research lie in a combination of theory, modeling, simulation (from electronic level to the atomistic level to the macroscopic levels) and experimental approaches (from materials synthesis to materials characterization) applied to solving important problems in the science, engineering and technology of materials. These problems focus on the fields of functional materials with function derived from size (e.g. nanomaterials), structure (e.g. metamaterials) and/or composition including materials with biological functionality or materials constituted of living matter (e.g. vitamaterials).

Selected Publications

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1. A. Sukhovich, B. Merheb, , K. Muralidharan, J.O. Vasseur, Y. Pennec, and P.A. Deymier, J. Page “Experimental and theoretical evidence for subwavelength imaging in phononic crystal, “ accepted for publication in Phys. Rev. Lett.
2. Javier S. Castro, Bartosz Trzaskowski , Pierre A. Deymier, Jaim Bucay, Ludwik Adamowicz, and James H. Hoying, “Binding Affinity of Fluorochromes and Fluorescent Proteins to Taxol Crystals,” accepted for publication in J. Mat. Sci. Engr. C.
3. M. Keswani, S. Raghavan, P. Deymier and S. Verhaverbeke, “Megasonic Cleaning of Wafers in Electrolyte Solutions: Possible Role of Electro-acoustic and Cavitation Effects,” J. of Microelectronic Engineering, accepted for publication.
4. S. K. Mishra, K. Muralidharan, G. Frantziskonis, P.A. Deymier, S. Simunovic and S. Pannala, “Wavelet based spatial scaling of coupled reaction diffusion fields” Int. J. Multiscale. Compu. Engr. 6, 281 (2008).
5. Krishna Muralidharan, Pierre Deymier, Marilena Stimpfl, Nora H. de Leeuw, and Michael J. Drake, “Origin of water in the inner solar system: A kinetic Monte Carlo study of water adsorption on forsterite,” Icarus, 198,400 (2008).
6. B. Merheb, P.A. Deymier, M. Jain, M. Aloshyna-Lesuffleur, R.W. Greger, S. Mohanty, and A. Berker, “Elastic and viscoelastic effects in rubber/air acoustic band gap structures: A theoretical and experimental study”, J. Appl. Physics, 104, 064913 (2008).
7. Sudib K. Mishra, Krishna Muralidharan, S. Pannala, Srdjan Simunovic, C. Stuart Daw, Phani Nukala, Rodney Fox, Pierre A. Deymier, and George N. Frantziskonis, “Spatiotemporal Compound Wavelet Matrix Framework for Multiscale/Multiphysics Reactor Simulation: Case Study of a Heterogeneous Reaction/Diffusion System," International Journal of Chemical Reactor Engineering, Vol 6, A28 (2008).
8. M. Eray, P.A. Deymier, J.H. Hoying, K. Runge and J.O. Vasseur, “Resonant filtering of compositional waves in multicellular networks,” Physica D 237, 2777 (2008).
9. K. Muralidharan, , Sudib K. Mishra , George Frantziskonis, P.Deymier, Sreekanth Pannala, Srdjan Simunovic, “Dynamic compound wavelet matrix method for multiphysics and multiscale problems” Phys. Rev. E 77, 026714 (2008).
10. J. O. Vasseur, P. A. Deymier, B. Djafari-Rouhani, and Y. Pennec, “Absolute forbidden bands in two-dimensional phononic crystal plates,” Phys. Rev. B 77, 085415 (2008).
11. J.S. Castro, P.A. Deymier, S. D. Smith and J. Hoying, “Morphology of Microtubules Grown in Agarose Gels,” Advanced Materials 20, 183-188 (2008).
12. K. Valenzuela, S. Raghavan, P.Deymier, and J. Hoying, “Formation of Copper Nanowires by Electroless Deposition using Microtubules as Templates,” Journal of Nanoscience and Nanotechnology 8, 3416 (2008).
13. B. Traskowski, L. Adamowicz and P.A. Deymier, “A theoretical study of zinc(II) interactions with amino acid models and peptide fragments,” J. Inorg. Biol. Chem., 13,133 (2008).
14. J.O. Vasseur, A-C. Hladky-Hennion, B. Djafari-Rouhani, F. Duval, B. Dubus Y. Pennec and P.A. Deymier, “Waveguiding in two-dimensional piezoelectric phononic crystal plates,” J. Appl. Phys.10, 114904 (2007).
15. M. Umnov, O. Paluzinski, H. Barnaby, Y. Yang, S. Raghavan, R. Guzman, J. Hoying and P.A. Deymier, “Experimental Evaluation of Electrical Conductivity of Microtubules,” J. of Materials Science 42, 373-378 (2007).
16. Krishna Muralidharan, P. A. Deymier, K. Runge, J. H. Simmons, and Ki-Dong Oh “Atomic-Level Brittle Fracture Mechanisms in Amorphous Silica: A Study using Molecular Dynamics” J. Materials Science 42, 4159 (2007).
17. George Frantziskonis, Sudib K. Mishra, Sreekanth Pannala, Srdjan Simunovic, C. Stuart Daw, Phani Nukala, Rodney O. Fox, Pierre A. Deymier, "Wavelet-based Spatiotemporal Multiscaling in Diffusion Problems with Chemically Reactive Boundary,”  Int. J. Mult. Comp. Eng. Vol. 4, Issue 5-6, pp. 755-770, 2006.
18. P.A. Deymier, Kidong Oh, K. Muralidharan, G. Frantzikonis and K. Runge, “Selection of Domains for Coarse and Fine Levels of Description in Mixed-Potential Simulations,” Journal of Computer-Aided Design (JCAD) 13, 17-44 (2006).
19. Krishna Muralidharan, Aditi Mallik, Keith Runge and P. A. Deymier, “Implementation of Consistent Embedding for a Larger System – Amorphous Silica,” Journal of Computer-Aided Design (JCAD) 13, 61-73 (2006).
20. S.B Trickey, S. Yip, Hai-Ping Cheng, Keith Runge, and P.A. Deymier, “A perspective on multi-scale simulation: Toward understanding water-silica,” Journal of Computer-Aided Design (JCAD) 13, 1-12 (2006).
21. B. Trzaskowski, P.A. Deymier, and L. Adamowicz, “Metallization of nanobiostructures: a theoretical study of copper nanowires growth in microtubules,” J. of Materials Chemistry 16, 4649 –4656 (2006).
22. Bartosz Trzaskowski, S.G. Stepanian, A. Les, P.A. Deymier, R. Guzman, and L. Adamowicz, “Iminidoacetate as a chelating agent for histidine; a theoretical study,” J. Comput. Theor. Nanosci. 3, 1-10 (2006)
23. Xinya Zhang, T. Jackson, E. Lafond, P. Deymier and J. Vasseur, “Evidence of Surface Acoustic Wave Bandgaps in Phononic Crystals created on Thin Plates,” Applied Phys. Lett. 88, 041911 (2006).
24. Yi Yang, P. A. Deymier, Lian Wang, Roberto Guzman, Jay Hoying, Ian Jongwaard, and Heather Mclaughlin, “Nucleation and growth of microtubules from gamma-tubulin functionalized surfaces”, Biotechnology Progress 22, 303-312 (2006)
25. V. Kapila, P.A. Deymier, and S. Raghavan, “Molecular dynamics simulation of friction between alkyl silane monolayers” MSMSE 14, 283-287 (2006).
26. M. Stimpfl, A.M. Walker, M. J. Drake, N.H. de Leeuw, and P. Deymier, “An Ångstrøm-sized Window on the Origin of Water in the Inner Solar System: Atomistic Simulation of Adsorption of Water on Olivine,” accepted for publication in Journal of Crystal Growth.
27. S.G. Stepanian, B. Trzaskowski, P.A. Deymier, R. Guzman, L. Adamowicz, “Selectivity of chelator-protein interactions: a high level quantum chemistry study,” Journal of Computational and Theoretical Nanoscience 3, 78-87 (2006).
28. G. Frantziskonis and P.A. Deymier, “Surface Effects at Nanoscale Significantly Reduce the Effects of Stress Concentrators”, special issue of PEM (Probabilistic Engineering Mechanics) as a result of the 2005 PROBAMAT (probabilities and materials workshop), accepted for publication, PROBABILISTIC ENGINEERING MECHANICS 21 (3): 277-286 JUL (2006).
29. P.A. Deymier, Y.Yang and J.Hoying, “Effect of tubulin diffusion on polymerization of microtubules,” Phys. Rev. E. 72, 021906-021914 (2005).
30. B. Trzaskowski, A. Les, L. Adamowicz, P.A. Deymier, R. Guzman, S.G. Stepanian, “Multilevel quantum chemistry approach to the development of a database of SAM-ligand-protein interactions, “ J. of Computational and Theoretical Nanoscience, 2, 1-13 (2005).
31. G. Frantziskonis and P.A. Deymier, “The effect of stress concentrators on Strength of Materials at NanoScale – A molecular dynamics study,” Mech. Res. Comm. 33, 352-358 (2006).
32. J.O. Vasseur, P.A. Deymier, M. Beaugeois, Y. Pennec, B. Djafari-Rouhani, and D. Prevost, “Experimental observation of resonant filtering in a two-dimensional phononic crystal waveguide,” Zeischrift for Krystallography 220, 829-835 (2005).
33. Yi Yang, P.A. Deymier, R. Guzman, M. Umnov, J. Hoying, S. Raghavan, O. Paluzinski and B.J.J. Zelinski, “Adsorption of a microtubule on a charged surface affects its disassembly dynamics,” Journal of Nanoscience and Nanotechnology 5 (12), 2050-2056 (2005).
34. Y. Pennec, B. Djafari-Rouhani, J.O. Vasseur, A. Khelif, P.A. Deymier, “Tunable filtering and demultiplexing in phononic crystals with hollow cylinders”, Phys. Rev. E 69, 046608 (2004).
35. Haripin Chandra, P.A. Deymier and J.O. Vasseur, “Acoustic wave propagation in three dimensional phononic crystal waveguides,” Phys. Rev. B 70, 054302 (2004).
36. V. Kapila, P.A. Deymier, A. Marcia Almanza-Workman and S. Raghavan, “Two-dimensional Monte Carlo Simulations of Ionic and Non-ionic Silane Self-assembly in Aqueous Solutions and on HydrophilicSurfaces,” J. Chem. Phys.120, 9277 (2004).
37. Yi Yang, B. Constance, P.A. Deymier, J. Hoying, S. Raghavan, and B.J.J. Zelinski, “Electroless metal plating of microtubules: effect of microtubule-associated proteins,” J. Mater. Science 39, 1927-1933 (2004).
38. Ki-Dong Oh and P.A. Deymier, “Effect of temperature on the formation of electronic bound states in expanded BCC hydrogenoid crystal: a restricted path integral molecular dynamics simulation,” Phys. Rev. B 69, 155101 (2004).
39. P.A. Deymier and Ki-Dong Oh, “Formation of bound states in expanded metal studied via path integral molecular dynamics,” Modelling and Simulation in MSE 12, 197 (2004).
40. A.M. Almanza-Workman, S. Raghavan, P.A. Deymier, D. Monk and R. Roop, "Aqueous Silane-Surfactant Co-Dispersions for Deposition of Hydrophobic Coatings onto Pre-Oxidized Polysilicon" Colloids and Surfaces A: Physicochemical and Engineering Aspects, Volume 232, Issue 1, Pages 67-75, 12 January 2004.
41. A.M. Almanza-Workman, S. Raghavan, P. Deymier, et al., “Electrochemical impedance spectroscopc characterization of hydrophobic coatings deposited onto pre-oxidized silicon,” Sol. St. Phen. 92, 211-214 (2003).
42. A. Khelif, B. Djafari-Rouhani, J.O. Vasseur and P.A. Deymier, “Transmission and dispersion relations of perfect and defect-containing waveguide structures in phononic band gap materials,” Phys. Rev. B 68, 024302 (2003).
43. G. Frantziskonis and P. Deymier, “Wavelet-based Spatial and Temporal Multiscaling – One-dimensional Illustration of Bridging Atomistic and Continuum Temporal Scales,” Phys. Rev. B 68, 024105 (2003).
44. A. Khelif, P.A. Deymier, B. Djafari-Rouhani, J.O. Vasseur and L. Dobrzynski, “Two-dimensional Phononic Crystal with Tunable Narrow Pass-Band: application to waveguide with selective frequency,” Journal of Appl. Phys. 94, 1308 (2003).
45. K. Muralidharan, P.A. Deymier and J. H. Simmons, “Multiscale Modeling of Wave Propagation: FDTD/MD Hybrid Method,” Modeling and Simulation in MSE 11, 487 (2003).
46. A. Marcia Almanza-Workman, Srini Raghavan, Slobodan Petrovic, Bishnu Gogoi, Pierre Deymier, David J. Monk and Ray Roop. “Characterization of highly hydrophobic coatings deposited onto pre-oxidized silicon from water dispersible organosilanes”, Thin Solid Films, 423(1), 77-87 (2003).