9 Accelerated Discovery and Development of Inorganic Materials


Description:
This session targets the increasing work on high-throughput computational/experimental screening, selection, evaluation, and genomics of inorganic materials.

Sponsor:
Inorganic Materials


Chair:
Sankar Nair
Georgia Institute of Technology
School of Chemical & Biomolecular Engineering
311 Ferst Dr.
Atlanta, GA
30332
Email: sankar.nair@chbe.gatech.edu

Co-chairs:
Yongchul G. Chung
Assistant Professor
Pusan National University
Chemical & Biomolecular Engineering
2145 Sheridan Road
Busan
60208
Email: greg.chung@pusan.ac.kr

Dongxia Liu
Assistant Professor
University of Maryland
Chemical and Biomolecular Engineering
College Park, MD
20742
Email: liud@umd.edu


Papers:
9a
New Milestones and Challenges in High-Throughput Computation of Elastic Properties on the Materials Project
Joseph H. Montoya, Lawrence Berkeley National Laboratory; Kristin Persson, Lawrence Berkeley Lab
9b
Breaking Badly: A Comprehensive Assessment of Computational Methods for Predicting Tensile Strengths in Bulk Solids
Bryan M. Wong, University of California, Riverside
9c
Machine Learning the Thermochemistry of All Inorganic Crystalline Solids
Christopher J. Bartel, University of Colorado at Boulder; Ann M. Deml, National Renewable Energy Laboratory; Samantha L. Millican, University of Colorado at Boulder; John R. Rumptz, University of Colorado at Boulder; William Tumas, National Renewable Energy Laboratory; Alan W. Weimer, University of Colorado Boulder; Stephan Lany, National Renewable Energy Laboratory; Vladan Stevanovic, National Renewable Energy Laboratory; Charles B. Musgrave, University of Colorado Boulder; Aaron M. Holder, National Renewable Energy Laboratory
9d
Designing Dopant Patterns in Indium-Doped Perovskite Oxygen Carriers
Christopher L. Hanselman, Carnegie Mellon University; Dominic Alfonso, U.S. Department of Energy; Jonathan W. Lekse, National Energy Technology Laboratory; De Nyago Tafen, National Energy Technology Laboratory ; Christopher Matranga, National Energy Technology Laboratory; David C. Miller, National Energy Technology Laboratory; Chrysanthos E. Gounaris, Carnegie Mellon University
Break
9f
In silico Structural Analyses of Borosilicate, Aluminosilicate, and Gallosilicate Zeolites Using Effective Tetrahedral Descriptors
Koki Muraoka, The University of Tokyo; Tatsuya Okubo, The University of Tokyo; Watcharop Chaikittisilp, The University of Tokyo
9g
Computational Identification of Hetero-Interpenetrated Porous Materials
Jihan Kim, Korea Advanced Institute of Science and Technology; Ohmin Kwon, KAIST; Sanghoon Park, KAIST
Abstract Submissions Closed
See more of this Group/Topical: Materials Engineering and Sciences Division
<< Previous Session | Next Session >>