Bulletin of the American Physical Society

APS March Meeting 2014

Volume 59, Number 1

Monday–Friday, March 3–7, 2014; Denver, Colorado

Session Index

Session A31: Focus Session: Computational Discovery and Design of New Materials I	Show Abstracts
Sponsoring Units: DMP DCOMP Chair: Bruce Harmon, Iowa State University Room: 607

Monday, March 3, 2014 8:00AM - 8:36AM		A31.00001: Materials Discovery via CALYPSO Methodology Invited Speaker: Yanming Ma Preview Abstract
Monday, March 3, 2014 8:36AM - 8:48AM		A31.00002: New Stable Phases in the Re-B System: A First-principles Study Xin Zhao, Manh Cuong Nguyen, Cai-Zhuang Wang, Kai-Ming Ho Preview Abstract
Monday, March 3, 2014 8:48AM - 9:00AM		A31.00003: Prediction and confirmation of new MB4 crystal structures (M=Cr,Fe,Mn) Abram Van Der Geest, Aleksey Kolmogorov Preview Abstract
Monday, March 3, 2014 9:00AM - 9:12AM		A31.00004: Systematic Phase Diagram of LiSi and LiAl compounds from Minima Hopping Method Aldo Romero, Miguel Marques, Silvana Botti, Rafael Sarmiento-P\'erez, Irais Valencia-Jaime, Max Amsler, Stefan Goedecker Preview Abstract
Monday, March 3, 2014 9:12AM - 9:24AM		A31.00005: Computational design of three-dimensional metallic boron nitride Qian Wang, Shunhong Zhang, Yoshiyuki Kawazoe, Puru Jena Preview Abstract
Monday, March 3, 2014 9:24AM - 9:36AM		A31.00006: Design of novel solar thermal fuels with high-throughput ab initio simulations Yun Liu, Jeffrey Grossman Preview Abstract
Monday, March 3, 2014 9:36AM - 9:48AM		A31.00007: ABSTRACT WITHDRAWN Preview Abstract
Monday, March 3, 2014 9:48AM - 10:00AM		A31.00008: A Computational Method for Materials Design of Interfaces Jakub Kaminski, Christian Ratsch, Sadasivan Shankar Preview Abstract
Monday, March 3, 2014 10:00AM - 10:12AM		A31.00009: Using machine learning to drive computational discovery in self-organizing material systems Carolyn Phillips, Gregory Voth Preview Abstract
Monday, March 3, 2014 10:12AM - 10:24AM		A31.00010: Engineering of nanomaterials by following the flow of structural information guided by targeted outcome Vladan Mlinar Preview Abstract
Monday, March 3, 2014 10:24AM - 10:36AM		A31.00011: First-principles configurational thermodynamics of alloyed nanoparticles with adsorbates Lin-Lin Wang, Teck L. Tan, Duane D. Johnson Preview Abstract
Monday, March 3, 2014 10:36AM - 10:48AM		A31.00012: Vibrational, magnetic and many-electron effects in quantitative theory for accelerated materials design Igor A. Abrikosov, Alena V. Ponomareva, Anton Yu. Nikonov, Andrey I. Dmitriev, Svetlana A. Barannikova, Marcus Ekholm, Bjorn Alling, Peter Steneteg, Olle Hellman Preview Abstract
Monday, March 3, 2014 10:48AM - 11:00AM		A31.00013: Non-uniquely defined ground states of a neutral and anionic gold cluster and methods for generating stationary point databases Bastian Schaefer, Rhitankar Pal, Maximilian Amsler, Ali Sadeghi, Xiao Cheng Zeng, Lai-Sheng Wang, Volker Blum, Stefan Goedecker Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2014

Volume 59, Number 1

Monday–Friday, March 3–7, 2014; Denver, Colorado

Session Index

Session A31: Focus Session: Computational Discovery and Design of New Materials I

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