Classified and tagged materials information obtained by quantum mechanical calculations
that numerically and visually demonstrate the property. Provide simulation methods in detail.
Search the targeting materials or make a prediction via composition based searching interface with the
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Uniformly curated material properties aided by computational materials science.
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Materials information hosted by Khazana has reached and spread to all around the world since 14 September 2015.
A. Mannodi-Kanakkithodi, G. M. Treich, T. D. Huan, R. Ma, M. Tefferi, Y. Cao, G A. Sotzing, R. Ramprasad Rational Co-Design of Polymer Dielectrics for Energy Storage Adv. Mater., 28, 6277 (2016). Article
T. D. Huan, A. Mannodi-Kanakkithodi, R. Ramprasad Accelerated materials property predictions and design using motif-based fingerprints Phys. Rev. B, 92, 014106 (2015). Article
S. Krishnan, V. Sharma, P. Singh, R. Ramprasad Dopants in lanthanum manganite: insights from first-principles chemical space exploration J. of Phys. Chem. C, 120, 22126 (2016). Article
C. Kim, G. Pilania, R. Ramprasad Machine learning assisted predictions of intrinsic dielectric breakdown strength of ABX3 perovskites J. of Phys. Chem. C, 120, 14575 (2016). Article
T. D. Huan, A. Mannodi-Kanakkithodi, C. Kim, V. Sharma, G. Pilania, R. Ramprasad A polymer dataset for accelerated property prediction and design Sci. Data, 3, 160012 (2016). Article
A. Mannodi-Kanakkithodi, G. Pilania, T. D. Huan, T. Lookman, R. Ramprasad Machine learning strategy for accelerated design of polymer dielectrics Sci. Rep., 6, 20952 (2016). Article
C. Kim, G. Pilania, R. Ramprasad From organized high-throughput data to phenomenological theory using machine learning: the example of dielectric breakdown Chem. Mate., 28, 1304 (2016). Article
T. D. Huan, V. N. Tuoc, N. V. Minh Layered structures of organic/inorganic hybrid halide perovskites Phys. Rev. B, 93, 094105 (2016). Article