Bulletin of the American Physical Society

APS March Meeting 2012

Volume 57, Number 1

Monday–Friday, February 27–March 2 2012; Boston, Massachusetts

Session Index

Session A7: Focus Session: Computational Design of Materials - Structure Prediction	Show Abstracts
Sponsoring Units: DMP DCOMP Chair: Richard Hennig, Cornell University Room: 207

Monday, February 27, 2012 8:00AM - 8:12AM		A7.00001: Crystal structure prediction: a novel approach based on minima hopping Maximilian Amsler, Stefan Goedecker Preview Abstract
Monday, February 27, 2012 8:12AM - 8:24AM		A7.00002: Adaptive Genetic Algorithm method for Crystal Structure Prediction and Materials Discovery Cai-Zhuang Wang, Min Ji, Shunqing Wu, Koichiro Umemoto, Renata Wentzcovitch, Kai-Ming Ho Preview Abstract
Monday, February 27, 2012 8:24AM - 8:36AM		A7.00003: Periodic structure optimization via local heat pulse-quench cycles employing the GULP code Arnulf M\"{o}bius, J. Christian Sch\"{o}n Preview Abstract
Monday, February 27, 2012 8:36AM - 9:12AM		A7.00004: Mapping the Materials Genome through Combinatorial Informatics Invited Speaker: Krishna Rajan Preview Abstract
Monday, February 27, 2012 9:12AM - 9:24AM		A7.00005: Diamondlike carbo-boride C5B compound? Testing crystal structures and stability with Global Space Group Optimization ( GSGO) Arkadiy Mikhaylushkin, Xiuwen Zhang, Alex Zunger Preview Abstract
Monday, February 27, 2012 9:24AM - 9:36AM		A7.00006: Hands-free thermodynamic alloy modeling of $\sim$700 binary alloys using a Bayesian approach: Part I Gus Hart, Lance J. Nelson, Stefano Curtarolo, C. Shane Reese Preview Abstract
Monday, February 27, 2012 9:36AM - 9:48AM		A7.00007: Hands-free thermodynamic alloy modeling of $\sim$700 binary alloys using a Bayesian approach: Part II Lance J. Nelson, Stefano Curtarolo, C. Shane Reese, Gus L.W. Hart Preview Abstract
Monday, February 27, 2012 9:48AM - 10:00AM		A7.00008: Sorting stable from unstable hypothetical compounds and determining the electronic structure of interesting candidates : The case of Half-Heusler Filled Tetrahedral ABX structures Xiuwen Zhang, Liping Yu, Andriy Zakutayev, David Ginley, Alex Zunger Preview Abstract
Monday, February 27, 2012 10:00AM - 10:12AM		A7.00009: Band-structure predictions for A2BX4 discovery compounds Stephan Lany, V. Stevanovic, A. Zunger Preview Abstract
Monday, February 27, 2012 10:12AM - 10:24AM		A7.00010: New Crystal Structures Identified for PtO and PtO$_2$ using Density Functional Theory Calculations Juarez L.F. Da Silva, Ricardo K. Nomiyama, Mauricio J. Piotrowski Preview Abstract
Monday, February 27, 2012 10:24AM - 10:36AM		A7.00011: Simulation of structural and electronic properties of amorphous tungsten oxycarbides Kaliappan Muthukumar, Harald O. Jeschke, Roser Valenti Preview Abstract
Monday, February 27, 2012 10:36AM - 10:48AM		A7.00012: Predicting Two-Dimensional Boron-Carbon Compounds by the Global Optimization Method Xinyu Luo, Jihui Yang, Xingao Gong, Hongjun Xiang, Hanyu Liu, Yanchao Wang, Yanming Ma Preview Abstract
Monday, February 27, 2012 10:48AM - 11:00AM		A7.00013: Quantum confined Schottky barriers: Tuning the Schottky-Mott and Bardeen Limits James Chelikowsky, Tzu-Liang Chan, Kai-Ming Ho, Cai-Zhuang Wang, Shengbai Zhang Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2012

Volume 57, Number 1

Monday–Friday, February 27–March 2 2012; Boston, Massachusetts

Session Index

Session A7: Focus Session: Computational Design of Materials - Structure Prediction

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