10 Accelerated Discovery and Development of Inorganic Materials


Description:
Efficient approaches are needed to explore a large number of inorganic materials with varying elemental composition and framework structure. This session targets the increasing work on application-oriented high-throughput computational/experimental screening, machine-learning, selection, evaluation, and genomics of inorganic materials.

Sponsor:
Inorganic Materials


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

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

Basudeb Saha
Associate Director
University of Delaware
Catalysis Center for Energy Innovation, Department of Chemical and Biomolecular Engineering
Newark, DE
Email: bsaha@udel.edu


Papers:
10a
In silico Screening of Metal-Organic Frameworks for Adsorption Driven Heat Pumps and Chillers
Máté Erdős, Delft University of Technology; Martijn F. de Lange, Delft University of Technology; Freek Kapteijn, Delft University of Technology; Othonas A. Moultos, Delft University of Technology; Thijs J. H. Vlugt, Delft University of Technology
10b
A Database of 2D Zeolite Nanosheets: Development and Applications in High Throughput Separations Screening
Omar Knio, Georgia Institute of Technology; Apaar Shanker, Georgia Institute of Technology; Sankar Nair, Georgia Institute of Technology; David S. Sholl, Georgia Institute of Technology
10c
Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of Two-Dimensional Zeolites
Matthew Witman, University of California, Berkeley; Sanliang Ling, University College London; Peter Boyd, École Polytechnique Fédérale de Lausanne (EPFL); Senja Barthel, École Polytechnique Fédérale de Lausanne (EPFL); Maciej Haranczyk, Lawrence Berkeley National Laboratory; Ben Slater, University College London; Berend Smit, University of California, Berkeley
10d
Speeding up the Synthesis of Zeolites: From Several Days to Several Seconds
Zhendong Liu, The University of Tokyo; Jie Zhu, The University of Tokyo; Toru Wakihara, The University of Tokyo; Tatsuya Okubo, The University of Tokyo
10e
New Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides
Christopher J. Bartel, University of Colorado at Boulder; Christopher Sutton, Fritz Haber Institute of the Max Planck Society; Bryan Goldsmith, University of Michigan; Runhai Ouyang, Fritz Haber Institute; Charles B. Musgrave, University of Colorado Boulder; Luca M. Ghiringhelli, Fritz Haber Institute; Matthias Scheffler, Fritz-Haber-Institut der Max-Planck-Gesellschaft
10f
Creating a Redox Materials Database for Solar-Thermochemical Processes
Josua Vieten, DLR (German Aerospace Center); Patrick Huck, Lawrence Berkeley Lab; Dorottya Guban, DLR (German Aerospace Center); Matthew Horton, Lawrence Berkeley Lab; Brendan Bulfin, ETH Zurich; Martin Roeb, DLR (German Aerospace Center); Kristin Persson, Lawrence Berkeley Lab; Christian Sattler, DLR (German Aerospace Center)
10g
Development of a Bond-Centric Model for Thermodynamic Stability of Nanoalloys
Michael G. Taylor, University of Pittsburgh; Zihao Yan, University of Pittsburgh; Ashley Mascareno, University of Pittsburgh; Giannis Mpourmpakis, University of Pittsburgh
Abstract Submissions Closed
See more of this Group/Topical: Materials Engineering and Sciences Division
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