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2010 Publications

Bogenschutz, P. A., S. K Krueger, and Marat Khairoutdinov, 2010: Assumed Probability Density Functions for Shallow and Deep Convection, J. Adv. Model. Earth Syst., Vol. 2, Art. #10, 24 pp., doi:10.3894/JAMES.2010.2.10

Conductance of functionalized nanotubes, graphene and nanowires: from ab initio to mesoscopic physics X. Blase, C. Adessi, B. Biel, A. Lopez-Bezanilla, M.V. Fernandez-Serra, E. R. Margine2, F. Triozon, and S. Roche. Phys. Status Solidi B, 1-6 (2010).

D. R. Einstein, F. del Pin, X. Jiao, A. P. Kuprat, J. P. Carson, K. S. Kunzelman, R. P. Cochran, J. M. Guccione and M. B. Ratcliffe. Fluid-Structure Interactions of the Mitral Valve and Left Heart: Comprehensive Strategies, Past, Present and Future. Communications in Numerical Methods in Engineering. Vol 26(3), pp. 348-380, 2010. DOI: 10.1002/cnm.1280.

DeMott, C. A., D. A. Randall, and M. Khairoutdinov, 2010: Implied Ocean Heat Transports in the Standard and Superparameterized Community Atmospheric Models. J. Climate, 23, 1908-1928.

Evaluating Systematic Dependencies of Type Ia Supernovae: The Influence of Deflagration to Detonation Density. A. P. Jackson, A. C. Calder, D. M. Townsley, D. A. Chamulak, E. F. Brown, and F. X. Timmes. ApJ, 720, 99, 2010

Evaluating Systematic Dependencies of Type Ia Supernovae. A. C. Calder, B. K. Krueger, A. P. Jackson, D. M. Townsley, F. X. Timmes, E. F. Brown, and D. A. Chamulak. Proceedings of the 2010 Scientific Discovery through Advanced Computing (SciDAC) Conference, Chattanooga, Tennessee, July 11-15, 2010. Oak Ridge National Laboratory. Proceedings.

Gao G., Oganov A.R., Li Z., Li P., Cui T., Bergara A., Lyakhov A.O., Ma Y., Iitaka T., Zou G. (2010). Crystal structures and superconductivity of stannane under high pressure. Proc. Natl. Acad. Sci. 107, 1317-1320.

Gao G., Oganov A.R., Wang H., Li P., Ma Y., Cui T., Zou G. (2010). Dissociation of methane under high pressure. J. Chem. Phys. 133, 144508.

J. P. Carson, A. P. Kuprat, D. R. Einstein, X. Jiao, V. Dyedov, F. del Pin, J. M. Guccione, and M. B. Ratcliffe. Adaptive Generation of Multimaterial Grids from imaging data for Biomedical Lagrangian Fluid-Structure Simulations. Biomechanics and Modeling in Mechanobiology. 9(2):187-201, 2010.

J. P. Pereira, C. A. Duarte, and X. Jiao, Three-dimensional crack growth with hp -generalized finite element and face offsetting methods, Computational Mechanics, 2010. DOI: 10.1007/s00466-010-0491-3.

Jung D.Y., Vinograd V.L., Fabrichnaya O.B., Oganov A.R., Schmidt M.W., Winkler B. (2010). Thermodynamics of mixing in MgSiO3-Al2O3 perovskite and ilmenite from ab initiocalculations. Earth Planet. Sci. Lett. 295, 477-486.

Lyakhov A.O., Oganov A.R., Valle M. (2010). Crystal structure prediction using evolutionary approach. In: Modern methods of crystal structure prediction (ed. A.R. Oganov), pp. 147-180. Berlin: Wiley-VCH).

Lyakhov A.O., Oganov A.R., Valle M. (2010). How to predict very large and complex crystal structures. Comp. Phys. Comm. 181, 1623-1632.

" Oganov A.R. (2010). Crystal structure prediction, a formidable problem. In: Modern Methods of Crystal Structure Prediction (ed. A.R. Oganov), pp. xi-xxi. Berlin: Wiley-VCH. "

Oganov A.R., Lyakhov A.O. (2010). Towards the theory of hardness of materials. J. Superhard Mater. 32, 143-147.

Oganov A.R., Ma Y., Lyakhov A.O., Valle M., Gatti C. (2010). Evolutionary crystal structure prediction and novel high-pressure phases. In: High-pressure crystallography (eds. E. Boldyreva, P. Dera), pp. 293-325. Springer, Berlin.

Oganov A.R., Ma Y., Lyakhov A.O., Valle M., Gatti C. (2010). Evolutionary crystal structure prediction as a method for the discovery of minerals and materials. Rev. Mineral. Geochem. 71, 271-298.

"Oganov A.R., Ma Y.M., Xu Y., Errea I., Bergara A., Lyakhov A.O. (2010). Exotic behavior and crystal structures of calcium under pressure. Proc. Natl. Acad. Sci.107, 7646-7651."

" Oganov A.R., Schön J.C., Jansen M., Woodley S.M., Tipton W.W., Hennig R.G. (2010). First blind test of inorganic crystal structure prediction. In: Modern Methods of Crystal Structure Prediction (ed. A.R. Oganov), pp. 223-231. Berlin: Wiley-VCH."

On mixing at the core-envelope interface during classical nova outbursts. J. Casanova, J. Jos´e, E. Garc´ıa-Berro, A. C. Calder, S. N. Shore. A&A, 513, L5, 2010

On Variations of the Brightness of Type Ia Supernovae with the Age of the Host Stellar Population. B. K. Krueger, A. P. Jackson, D. M. Townsley, A. C. Calder, E. F. Brown, F. X. Timmes. ApJ, 719, L5, 2010

Photocatalytic Water Oxidation Process at the GaN (1010) - Water Interface Xiao Shen, Yolanda A. Small, Jue Wang, Philip B. Allen, M. V. Fernandez-Serra, Mark S. Hybertsen, and James T. Muckerman, 2010, J. Phys. Chem. C, 114, 13695, (2010)

R. Jaiman, P. Geubelle, X. Jiao, and E. Loth, Combined Interface Boundary Condition Method for Unsteady Fluid-Structure Interaction, Computer Methods in Applied Mechanics and Engineering. To appear, 2010.

Radial breathing mode in silicon nanowires: An ab initio study E. Bourgeois, M.V. Fernandez-Serra and Xavier Blase. Phys. Rev. B, 81, 193410 (2010).

Rezaul Alam Chowdhury and Chandrajit Bajaj, "Multi-level Grid Algorithms for Faster Molecular Energetics", Proceedings of the ACM Symposium on Solid and Physical Modeling (SPM 2010), Haifa, Israel, pp. 147-152, 2010.

Rezaul Alam Chowdhury and Vijaya Ramachandran, "The Cache-Oblivious Gaussian Elimination Paradigm: Theoretical Framework, Parallelization and Experimental Evaluation", Theory of Computing Systems (Special Issue for SPAA'07), vol. 47 (4), pp. 878-919, 2010.

Rezaul Alam Chowdhury, Francesco Silvestri, Brandon Blakeley, and Vijaya Ramachandran, "Oblivious Algorithms for Multicores and Network of Processors", Proceedings of the 24th IEEE International Parallel and Distributed Processing Symposium (IPDPS 2010), Atlanta, Georgia, April 19-23, 2010 (Best Paper Award in the Algorithms Track) .

Rezaul Alam Chowdhury, Hai-Son Le, and Vijaya Ramachandran, "Cache-oblivious Dynamic Programming for Bioinformatics", IEEE/ACM Transactions on Computational Biology and Bioinformatics, vol. 7 (3), pp. 495-510, 2010.

Stan, C., M. Khairoutdinov, C. A. DeMott, V. Krishnamurthy, D. M. Straus, D. A. Randall, J. L. Kinter, III, and J. Shukla (2010), An ocean-atmosphere climate simulation with an embedded cloud resolving model, Geophys. Res. Lett., 37, L01702, doi:10.1029/2009GL040822.

Substrate-induced cooperative effects in water adsorption from density functional calculations Pepa Cabrera-Sanfelix, M. V. Fernandez-Serra, A. Arnau, and D. Sanchez-Portal. Phys. Rev. B, 82, 125432 (2010).

T. Wischgoll, D. R. Einstein, A. P. Kuprat, J. P. Carson, X. Jiao, Geometry reconstruction and grid generation, in book Computational Cardiovascular Mechanics: Modeling and Applications in Heart Failure. 2010. DOI: 10.1007/978-1-4419-0730-1_7.

Valle M., Oganov A.R. (2010). Crystal fingerprints space. A novel paradigm to study crystal structures sets. Acta Cryst. A66, 507-517.

X. Jiao and D. Wang, Reconstructing High-Order Surfaces for Meshing, In Proceedings of 18th International Meshing Roundtable, Chattanooga, TN, October 2010.

X. Jiao, D. R. Einstein, and V. Dyedov, Local Orthogonal Cutting Method for Computing Medial Curves and Its Biomedical Applications SIAM J. Sci. Comput. Vol 32(2), pp. 947–969, 2010. DOI: 10.1137/090767170.

X. Li, J. Glimm, X. Jiao, C. Peyser, Y. Zhao, Study of crystal growth and solute precipitation through front tracking method, Acta Mathematica Scientia, Vol 30(2B), pp. 377-390, 2010.

Xiaomeng Ban, Jie Gao, and Arnout van de Rijt. 2010. "Navigation in Real-World Complex Networks through Embedding in Latent Space." Pp. 138-48 in Proceedings of the 2010 Workshop on Algorithm Engineering & Experiments (ALENEX10), Texas: SIAM.

Xie Y., Oganov A.R., Ma Y. (2010). Novel structures and high pressure superconductivity of CaLi2. Phys. Rev. Lett. 104, 177005.

Zhang F., Oganov A.R. (2010). Iron silicides at pressures of the Earth's inner core. Geophys. Res. Lett. 37, art. L02305.

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