Abstract
High-throughput experimentation is effective in systematically producing large and diverse data sets. The marriage of combinatorial materials science and informatics is a natural one, and results are beginning to emerge from the integration of elements of materials informatics with data from combinatorial libraries. We discuss data management issues in high-throughput experimentation and highlight recent examples where data-mining tools are being implemented for extracting knowledge and predicting new compounds, with an emphasis on electronic materials.
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References
X.-D. Xiang and I. Takeuchi, eds., Combinatorial Materials Syntheses (Marcel Dekker, New York, 2003).
H. Koinuma and I. Takeuchi, Nat. Mater. 3 (2004) p. 429.
For a comparison of LIMS products, see, for example, http://www.limsfinder.co or www.limsource.com (accessed November 2006).
Symyx Discovery Tools, http://www.symyx.com (accessed November 2006).
S. Meguro, T. Ohnishi, M. Lippmaa, and H. Koinuma, Meas. Sci. Technol. 16 (2005) p. 309.
MatML, schema for materials information, http://www.matml.org (accessed November 2006).
Y.K. Yoo, Q. Xue, Y.S. Chu, S. Xu, U. Hangen, H.-C. Lee, W. Stein, and X.-D. Xiang, Intermetallics 14 (2006) p. 241.
I. Takeuchi, C.J. Long, O.O. Famodu, M. Murakami, J. Hattrick-Simpers, G.W. Rubloff, M. Stukowski, and K. Rajan, Rev. Sci. Instrum. 76 062223 (2005).
O.O. Famodu, J. Hattrick-Simpers, M. Aronova, K.-S. Chang, M. Murakami, M. Wuttig, T. Okazaki, Y. Furuya, and I. Takeuchi, Mater. Trans., JIM 45 (2004) p. 173.
R. Takahashi, Y. Yonezawa, M. Ohtani, M. Kawasaki, K. Nakajima, T. Chikyow, H. Koinuma, and Y. Matsumoto, Adv. Funct. Mater. 16 (2006) p. 485.
K. Tanaka and A. Ozaki, J. Catal. 8 (1967) p. 1.
R.E. Newnham, Phase Diagrams: Material Science and Technology, Vol. 5 (Academic Press, London, UK, 1978).
G.P. Kelkar and A.H. Carim, J. Am. Ceram. Soc. 76 (1993) p. 1815.
J. Scheidtmann, D. Klar, J.W. Saalfrank, T. Schmidt, and W.F. Maier, Quant. Struct.-Act. Relat. Combi. Sci. 24 (2005) p. 203.
J. Scheidtmann, A. Frantzen, G. Frenzer, and W.F. Maier, Meas. Sci. Technol. 16 (2005) p. 119.
R.A. Potyrailo, Angew. Chem. Int. Ed. 45 (2004) p. 702.
D. Farrusseng, C. Klanner, L. Baumes, M. Lengliz, C. Mirodatos, and F. Schuth, Quant. Struct.-Act. Relat. Combi. Sci. 24 (2005) p. 78.
C. Klanner, D. Farrusseng, L. Baumes, M. Lengliz, C. Mirodatos, and F. Schuth, Angew. Chem. Int. Ed. 43 (2004) p. 5347.
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Takeuchi, I., Lippmaa, M. & Matsumoto, Y. Combinatorial Experimentation and Materials Informatics. MRS Bulletin 31, 999–1003 (2006). https://doi.org/10.1557/mrs2006.228
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DOI: https://doi.org/10.1557/mrs2006.228