2017 Annual Meeting

Session: Accelerated Discovery and Development of Inorganic Materials

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

Chair

Sankar Nair, Georgia Institute of Technology

Co-Chairs

Yongchul G. Chung, Pusan National University
Dongxia Liu, University of Maryland

Presentations

03:30 PM

(9a) New Milestones and Challenges in High-Throughput Computation of Elastic Properties on the Materials Project
Joseph H. Montoya, Kristin Persson

03:51 PM

(9b) Breaking Badly: A Comprehensive Assessment of Computational Methods for Predicting Tensile Strengths in Bulk Solids
Bryan Wong

04:12 PM

(9c) Machine Learning the Thermochemistry of All Inorganic Crystalline Solids
Christopher J. Bartel, Ann M. Deml, Samantha L. Millican, William Tumas, John R. Rumptz, Alan Weimer, Stephan Lany, Vladan Stevanovic, Charles B. Musgrave, Aaron M. Holder

04:33 PM

(9d) Designing Dopant Patterns in Indium-Doped Perovskite Oxygen Carriers
Christopher L. Hanselman, Jonathan Lekse, De Nyago Tafen, Dominic Alfonso, Christopher Matranga, Chrysanthos Gounaris, David C. Miller

04:54 PM

(9e) On the Diversity of Nanoporous Materials Genome
Berend Smit, Yongjin Lee, Peter Boyd

05:15 PM

(9f) In silico Structural Analyses of Borosilicate, Aluminosilicate, and Gallosilicate Zeolites Using Effective Tetrahedral Descriptors
Watcharop Chaikittisilp, Koki Muraoka, Tatsuya Okubo

05:36 PM

(9g) Computational Identification of Hetero-Interpenetrated Porous Materials
Jihan Kim, Ohmin Kwon, Sanghoon Park