Informatics for Materials Science and Engineering. Data-driven Discovery for Accelerated Experimentation and Application

Content:
Front-matter, Pages i,iii
Copyright, Page iv
Preface: A Reading Guide, Pages xiii-xiv, Krishna Rajan
Acknowledgment, Page xv
Chapter 1 - Materials Informatics: An Introduction, Pages 1-16, Krishna Rajan
Chapter 2 - Data Mining in Materials Science and Engineering, Pages 17-36, Chandrika Kamath, Ya Ju Fan
Chapter 3 - Novel Approaches to Statistical Learning in Materials Science, Pages 37-51, F.J. Alexander, T. Lookman
Chapter 4 - Cluster Analysis: Finding Groups in Data, Pages 53-70, Joe Bible, Susmita Datta, Somnath Datta
Chapter 5 - Evolutionary Data-Driven Modeling, Pages 71-95, Nirupam Chakraborti
Chapter 6 - Data Dimensionality Reduction in Materials Science, Pages 97-119, S. Samudrala, K. Rajan, B. Ganapathysubramanian
Chapter 7 - Visualization in Materials Research: Rendering Strategies of Large Data Sets, Pages 121-146, Aaron Bryden, Krishna Rajan, Richard LeSar
Chapter 8 - Ontologies and Databases – Knowledge Engineering for Materials Informatics, Pages 147-187, Joseph Glick
Chapter 9 - Experimental Design for Combinatorial Experiments, Pages 189-217, James N. Cawse
Chapter 10 - Materials Selection for Engineering Design, Pages 219-244, Michael Ashby, Elizabeth Cope, David Cebon
Chapter 11 - Thermodynamic Databases and Phase Diagrams, Pages 245-269, S.K. Saxena
Chapter 12 - Towards Rational Design of Sensing Materials from Combinatorial Experiments, Pages 271-313, Radislav Potyrailo
Chapter 13 - High-Performance Computing for Accelerated Zeolitic Materials Modeling, Pages 315-347, Laurent A. Baumes, Frederic Kruger, Pierre Collet
Chapter 14 - Evolutionary Algorithms Applied to Electronic-Structure Informatics: Accelerated Materials Design Using Data Discovery vs. Data Searching, Pages 349-364, Duane D. Johnson
Chapter 15 - Informatics for Crystallography: Designing Structure Maps, Pages 365-383, Krishna Rajan
Chapter 16 - From Drug Discovery QSAR to Predictive Materials QSPR: The Evolution of Descriptors, Methods, and Models, Pages 385-422, Ke Wu, Bharath Natarajan, Lisa Morkowchuk, Mike Krein, Curt M. Breneman
Chapter 17 - Organic Photovoltaics, Pages 423-442, Carlos Amador-Bedolla, Roberto Olivares-Amaya, Johannes Hachmann, Alán Aspuru-Guzik
Chapter 18 - Microstructure Informatics, Pages 443-466, Surya R. Kalidindi
Chapter 19 - Artworks and Cultural Heritage Materials: Using Multivariate Analysis to Answer Conservation Questions, Pages 467-494, Deborah Lau, Erick Ramanaidou, Petronella Nel, Peter Kappen, Carl Villis
Chapter 20 - Data Intensive Imaging and Microscopy: A Multidimensional Data Challenge, Pages 495-512, Krishna Rajan
Index, Pages 513-525