Bulletin of the American Physical Society

APS March Meeting 2017

Volume 62, Number 4

Monday–Friday, March 13–17, 2017; New Orleans, Louisiana

Session Index

Session H1: Computational Discovery and Design of Novel Materials VI

Focus Session

Show Abstracts

Sponsoring Units: DMP DCOMP
Chair: Matthias Rupp, FHI
Room: 260

Tuesday, March 14, 2017 2:30PM - 3:06PM		H1.00001: Computational Design of Nanostructured Thermoelectrics Invited Speaker: Chris Wolverton Preview Abstract
Tuesday, March 14, 2017 3:06PM - 3:18PM		H1.00002: An Automated Ab Initio Framework for Identifying New Ferroelectrics Tess Smidt, Sebastian E. Reyes-Lillo, Anubhav Jain, Jeffrey B. Neaton Preview Abstract
Tuesday, March 14, 2017 3:18PM - 3:30PM		H1.00003: Computational and Experimental Design of Functional Deep-Ultraviolet Non-Linear Optical Materials Joshua Young, James Rondinelli, Hongwei Yu, Hongping Wu, Weiguo Zhang, P. Shiv Halasyamani Preview Abstract
Tuesday, March 14, 2017 3:30PM - 3:42PM		H1.00004: Data Mining for 3D Organic Dirac Materials R. Matthias Geilhufe, Stanislav S. Borysov, Adrien Bouhon, Alexander V. Balatsky Preview Abstract
Tuesday, March 14, 2017 3:42PM - 3:54PM		H1.00005: Data-driven discovery of new Dirac semimetal materials Qimin Yan, Ru Chen, Jeffrey Neaton Preview Abstract
Tuesday, March 14, 2017 3:54PM - 4:06PM		H1.00006: Designing nanostructured mixed Heusler systems for improved thermoelectrics Vancho Kocevski, Chris Wolverton Preview Abstract
Tuesday, March 14, 2017 4:06PM - 4:18PM		H1.00007: Design a giant 3D quantum spin Hall insulator with double pervoskites Hui Wang, Shu-Ting Pi, Jeongwoo Kim, Yin-Kou Wang, Chi-Ken Lu, Ruqian Wu Preview Abstract
Tuesday, March 14, 2017 4:18PM - 4:30PM		H1.00008: High-Throughput study of chemical substitution in clay minerals Priya Gopal, Marta Gusmao, Andrew Supka, Marco Fornari, Marco Buongiorno Nardelli Preview Abstract
Tuesday, March 14, 2017 4:30PM - 4:42PM		H1.00009: Simulated Scattering of Coherent X-rays from Dynamic GaN Crystal Surfaces Dongwei Xu, Carol Thompson, Peter Zapol, G. Brian Stephenson Preview Abstract
Tuesday, March 14, 2017 4:42PM - 4:54PM		H1.00010: Monovacancy Properties From Atomistic Simulations Based on OpenKIM Junhao Li, James Sethna Preview Abstract
Tuesday, March 14, 2017 4:54PM - 5:06PM		H1.00011: Data assimilation based on 4DVar for structural materials Hiromichi Nagao, Shin-ichi Ito, Tadashi Kasuya, Junya Inoue Preview Abstract
Tuesday, March 14, 2017 5:06PM - 5:18PM		H1.00012: Advanced understanding of paper coating structure and its relationship to coating performance Jian Yang, Lanfang Li, John Roper, Valeriy Ginzburg, Colmar Wocke, Rebecca Smith Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2017

Volume 62, Number 4

Monday–Friday, March 13–17, 2017; New Orleans, Louisiana

Session Index

Session H1: Computational Discovery and Design of Novel Materials VI

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