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90 BIBLIOGRAPHY[11] Anubhav Jain, Geoffroy Hautier, Charles J. Moore, Shyue Ping Ong, ChristopherC. Fischer, Tim Mueller, Kristin A. Persson, and Gerbrand Ceder. Ahigh-throughput infrastructure for density functional theory calculations.Comp. Mater. Sci, 50(8):2295 – 2310, 2011.[12] MaterialsGenome. http://www.materialsgenome.org/, 2012-01-31.[13] Quixote. http://quixote.wikispot.org/, 2012-01-31.[14] Sam Adams, Pablo de Castro, Pablo Echenique, Jorge Estrada, Marcus Hanwell,Peter Murray-Rust, Paul Sherwood, Jens Thomas, and Joe Townsend.The Quixote project: Collaborative and Open Quantum Chemistry datamanagement in the Internet age. Journal of Cheminformatics, 3(1):38, 2011.[15] Quantum Materials Informatics Project. http://www.qmip.org/.[16] S. R. Bahn and K. W. Jacobsen. An object-oriented scripting interface to alegacy electronic structure code. Comput. Sci. Eng., 4(3):56–66, may 2002.[17] Python. http://python.org/, 2012-01-31.[18] Comma-separated values. http://en.wikipedia.org/wiki/Comma-separated_values, 2012-01-31.[19] Ivano E. Castelli, Thomas Olsen, Soumendu Datta, David D. Landis, SorenDahl, Kristian S. Thygesen, and Karsten W. Jacobsen. Computationalscreening of perovskite metal oxides for optimal solar light capture. EnergyEnviron. Sci., 5:5814–5819, 2012.[20] F.P. Miller, A.F. Vandome, and J. McBrewster. JSON: Computer, HumanreadableMedium, Data Structure, Associative Array, Douglas Crockford,Internet Media Type, Serialization, Ajax (programming), XML, JavaScript,Ecma International. VDM Publishing House Ltd., 2009.[21] XYZ file format. http://openbabel.sourceforge.net/wiki/XYZ, 2012-01-31.[22] B. Hammer, L. B. Hansen, and J. K. Nørskov. Improved adsorptionenergetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals. Phys. Rev. B, 59(11):7413–7421, Mar 1999.[23] J. J. Mortensen, L. B. Hansen, and K. W. Jacobsen. Real-space gridimplementation of the projector augmented wave method. Phys. Rev. B,71:035109, Jan 2005.[24] G. Kresse and J. Furthmüller. Efficiency of ab-initio total energy calculationsfor metals and semiconductors using a plane-wave basis set. Comp. Mater.Sci, 6(1):15 – 50, 1996.
BIBLIOGRAPHY 91[25] J. S. Hummelshøj, D. D. Landis, J. Voss, T. Jiang, A. Tekin, N. Bork,M. Du̷lak, J. J. Mortensen, L. Adamska, J. Andersin, J. D. Baran, G. D.Barmparis, F. Bell, A. L. Bezanilla, J. Bjork, M. E. Björketun, F. Bleken,F. Buchter, M. Bürkle, P. D. Burton, B. B. Buus, A. Calborean, F. Calle-Vallejo, S. Casolo, B. D. Chandler, D. H. Chi, I Czekaj, S. Datta, A. Datye,A. DeLaRiva, V Despoja, S. Dobrin, M. Engelund, L. Ferrighi, P. Frondelius,Q. Fu, A. Fuentes, J. Fürst, A. García-Fuente, J. Gavnholt, R. Goeke,S. Gudmundsdottir, K. D. Hammond, H. A. Hansen, D. Hibbitts, Jr. E. Hobi,J. G. Howalt, S. L. Hruby, A. Huth, L. Isaeva, J. Jelic, I. J. T. Jensen,K. A. Kacprzak, A. Kelkkanen, D. Kelsey, D. S. Kesanakurthi, J. Kleis, P. J.Klüpfel, I Konstantinov, R. Korytar, P. Koskinen, C. Krishna, E. Kunkes,A. H. Larsen, J. M. G. Lastra, H. Lin, O. Lopez-Acevedo, M. Mantega,J. I. Martínez, I. N. Mesa, D. J. Mowbray, J. S. G. Mýrdal, Y. Natanzon,A. Nistor, T. Olsen, H. Park, L. S. Pedroza, V Petzold, C. Plaisance, J. A.Rasmussen, H. Ren, M. Rizzi, A. S. Ronco, C. Rostgaard, S. Saadi, L. A.Salguero, E. J. G. Santos, A. L. Schoenhalz, J. Shen, M. Smedemand, O. J.Stausholm-Møller, M. Stibius, M. Strange, H. B. Su, B. Temel, A. Toftelund,V Tripkovic, M. Vanin, V Viswanathan, A. Vojvodic, S. Wang, J. Wellendorff,K. S. Thygesen, J. Rossmeisl, T. Bligaard, K. W. Jacobsen, J. K. Nørskov,and T. Vegge. Density functional theory based screening of ternary alkalitransitionmetal borohydrides: A computational material design project. J.Chem. Phys., 131(1):014101, 2009.[26] R.M. Martin. Electronic structure: basic theory and practical methods.Cambridge University Press, 2004.[27] Atomic Simulation Environment (ASE). https://wiki.fysik.dtu.dk/ase/, 2012-01-31.[28] A.T. Holdener. Ajax: the definitive guide. Definitive Guide Series. O’Reilly,2008.[29] C. Snyder, T. Myer, and M. Southwell. Pro PHP Security: From ApplicationSecurity Principles to the Implementation of XSS Defenses. Apress Series.Apress, 2010.[30] M. Nystrom. SQL Injection Defenses. O’Reilly shortcuts. O’Reilly, 2007.[31] Peter Pin shan Chen. The Entity-Relationship Model: Toward a UnifiedView of Data. ACM T. Database Syst., 1:9–36, 1976.[32] MySQL 5.0 Reference Manual. 01 2012.[33] Nick Jennings and Michael Wooldridge. Software Agents. In IEE Review,pages 17–20, 1996.[34] Cost of Hard Drive Storage Space. http://ns1758.ca/winch/winchest.html, 2012-01-31.
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