Bulletin of the American Physical Society

APS March Meeting 2015

Volume 60, Number 1

Monday–Friday, March 2–6, 2015; San Antonio, Texas

Session Index

Session B16: Focus Session: Materials Discovery with High-throughput Computation	Show Abstracts
Sponsoring Units: DMP DCOMP Chair: Prasanna Balachandran, Los Alamos National Laboratory Room: 101AB

Monday, March 2, 2015 11:15AM - 11:27AM		B16.00001: Computational Discovery of Metal-Organic Frameworks for CO$_{2}$ Capture and Energy Storage Donald Siegel Preview Abstract
Monday, March 2, 2015 11:27AM - 11:39AM		B16.00002: Computational screening and design of new materials for energy storage and conversion: batteries and thermoelectrics Boris Kozinsky Preview Abstract
(Author Not Attending)		B16.00003: Discovery of optimal zeolites for challenging separations and chemical conversions through predictive materials modeling J. Ilja Siepmann, Peng Bai, Michael Tsapatsis, Chris Knight, Michael W. Deem Preview Abstract
Monday, March 2, 2015 11:51AM - 12:27PM		B16.00004: Novel tools for accelerated materials discovery in the AFLOWLIB.ORG repository: breakthroughs and challenges in the mapping of the materials genome Invited Speaker: Marco Buongiorno Nardelli Preview Abstract
Monday, March 2, 2015 12:27PM - 12:39PM		B16.00005: Computational search for rare-earth free hard-magnetic materials Jos\'e A. Flores Livas, Sangeeta Sharma, John Kay Dewhurst, Eberhard Gross Preview Abstract
Monday, March 2, 2015 12:39PM - 12:51PM		B16.00006: Combinatorial Libraries of Transition Metal Oxides Using an Ab Initio High Throughput Approach Guo Li, Qimin Yan, Paul Newhouse, Lan Zhou, John Gregoire, Jeffrey Neaton Preview Abstract
Monday, March 2, 2015 12:51PM - 1:03PM		B16.00007: Combinatorial Search of Hydrogen Catalysts Based on Transition Metal Embedded Graphitic Carbons Woon Ih Choi, Brandon Wood, Eric Schwegler, Tadashi Ogitsu Preview Abstract
Monday, March 2, 2015 1:03PM - 1:15PM		B16.00008: A Computational Method for Materials Design of New Interfaces Jakub Kaminski, Christian Ratsch, Justin Weber, Michael Haverty, Sadasivan Shankar Preview Abstract
Monday, March 2, 2015 1:15PM - 1:27PM		B16.00009: Property-based {\em cascade} genetic algorithms for tailored searches of metal-oxide nano-structures Saswata Bhattacharya, Luca M. Ghiringhelli, Noa Marom Preview Abstract
Monday, March 2, 2015 1:27PM - 1:39PM		B16.00010: First principles characterization of novel single-layer materials predicted with an evolutionary algorithm Benjamin Revard, Will Tipton, Richard Hennig Preview Abstract
Monday, March 2, 2015 1:39PM - 1:51PM		B16.00011: High-throughout thermodynamics of vibrational degrees of freedom with AFLOW Pinku Nath, Jose J. Plata, Cormac Toher, Stefano Curtarolo Preview Abstract
Monday, March 2, 2015 1:51PM - 2:03PM		B16.00012: High-throughput exploration of alloying as design strategy for thermoelectrics Sandip Bhattacharya, Georg Madsen Preview Abstract
Monday, March 2, 2015 2:03PM - 2:15PM		B16.00013: ABSTRACT WITHDRAWN Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2015

Volume 60, Number 1

Monday–Friday, March 2–6, 2015; San Antonio, Texas

Session Index

Session B16: Focus Session: Materials Discovery with High-throughput Computation

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