Materials Discovery and Design

By Means of Data Science and Optimal Learning

AvTurab Lookman,Stephan Eidenbenz

Inbunden, Engelska, 2018

Del i serien Springer Series in Materials Science

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Beskrivning

Thus, the importance of this book lies in emphasizing that the full value of knowledge driven discovery using data can only be realized by integrating statistical and information sciences with materials science, which is increasingly dependent on high throughput and large scale computational and experimental data gathering efforts.

Produktinformation

Utgivningsdatum:2018-10-04
Mått:155 x 235 x undefined mm
Format:Inbunden
Språk:Engelska
Serie:Springer Series in Materials Science
Antal sidor:256
Förlag:Springer International Publishing AG
ISBN:9783319994642

Utforska kategorier

Systemvetenskap och AI inom Data och IT
Databaser inom Data och IT
Matematisk fysik inom Naturvetenskap och teknik

Innehållsförteckning

Part 1: Learning from Data in Material Science.- Designing Novel Multifunctional Materials via Inverse Optimization Techniques.- Quantifying Uncertainties in First Principles Alloy Thermodynamics.- Forward Modeling of Electron Scattering Modalities for Microstructure Quantification.- The Potential of Network Analysis Strategies to HEDM Data: Classification of Microstructures and Prediction of Incipient Failure.- Part 2: Data and Inference.- Challenges of Diagram extraction and Understanding.- Integration of Computational Reasoning, Machine Learning, and Crowdsourcing for Accelerating Materials Discovery.- Computational Creativity for Materials Science.- Optimal Experimental Design Based on Uncertainty Quantification.- Part 3: High-Throughput Calculations and Experiments Functionality-Driven Design and Discovery.- The Use of Proxies and Data for Guiding Materials Synthesis: Examples of Phosphors and Thermoelectrics.- Big Data from Experiments.- Data-Driven Approaches to Combinatorial Materials Science.- Invariant Representations for Robust Materials Prediction.- Part 4: Data Optimization/Challenges in Analysis of Data for Facilities.- The MGI Data Infrastructure.- Is Rigorous Automated Materials Design and Discovery Possible?.- Improve your Monte Carlo: Learn a Control Variate and Correct it with Stacking.- X-ray Free Electron Laser Studies of Shock-Driven Deformation and Phase Transitions.- Coherent Diffraction Imaging Techniques at 3rd and 4th Generation Light Sources.- 3D Data Challenges from X-ray Synchrotron Tomography.- Part 5: Interference/HPC/Software Integration.- Optimal Bayesian Experimental Design: Formulations and New Computational Strategies.- Optimal Bayesian Inference with Missing Data.- Applying an Experimental Design Loop to Shape Memory Alloys.- Big Data Need Big Theory Too.- Combining Experiments, Simulation and Machine Learning in a Single Materials Platform - A Materials Informatics Approach.- Rethinking the HPC Programming Environment.