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 L31: Focus Session: Computational Discovery and Design of New Materials III	Show Abstracts
Sponsoring Units: DMP DCOMP Chair: Hongjun Xiang, Fudan University Room: 607

Wednesday, March 5, 2014 8:00AM - 8:12AM		L31.00001: Mechanical and electronic properties of pristine and Ni-doped Si, Ge, and Sn sheets Aaditya Manjanath, Vijay Kumar, Abhishek Singh Preview Abstract
Wednesday, March 5, 2014 8:12AM - 8:24AM		L31.00002: Single-layer honeycomb like structure of silica Seymur Cahangirov, V. Ongun Ozcelik, Salim Ciraci Preview Abstract
Wednesday, March 5, 2014 8:24AM - 8:36AM		L31.00003: First-principles prediction of the structural, electronic and vibrational properties for t-silicene Eduardo Cifuentes-Quintal, Romeo de Coss Preview Abstract
Wednesday, March 5, 2014 8:36AM - 9:12AM		L31.00004: Computational discovery of new structures using the minima hopping method Invited Speaker: Stefan Goedecker Preview Abstract
Wednesday, March 5, 2014 9:12AM - 9:24AM		L31.00005: Novel Be-intercalated Hexagonal Boron Layers Structure of BeB2 Kai-Ming Ho, Manh Cuong Nguyen, Xin Zhao, Cai-Zhuang Wang Preview Abstract
Wednesday, March 5, 2014 9:24AM - 9:36AM		L31.00006: Prediction of a reconstructed $\alpha$-boron (111) surface by the minima hopping method Maximilian Amsler, Stefan Goedecker, Silvana Botti, Miguel A.L. Marques Preview Abstract
Wednesday, March 5, 2014 9:36AM - 9:48AM		L31.00007: The ferromagnetic properties of MnX2 Monolayers Qiang Sun Preview Abstract
Wednesday, March 5, 2014 9:48AM - 10:00AM		L31.00008: Aligning the band edges of Si surfaces with water redox potentials: a first-principles study Eric Schwegler, Tuan Anh Pham, Donghwa Lee, Giulia Galli Preview Abstract
Wednesday, March 5, 2014 10:00AM - 10:12AM		L31.00009: Stability and Electronic Properties of Two-Dimensional Silicene and Germanene on Graphene Chih-Piao Chuu, Yongmao Cai, C.-M. Wei, M.-Y. Chou Preview Abstract
Wednesday, March 5, 2014 10:12AM - 10:24AM		L31.00010: Prediction of novel single-layer materials for device applications Benjamin C. Revard, William W. Tipton, Richard G. Hennig Preview Abstract
Wednesday, March 5, 2014 10:24AM - 10:36AM		L31.00011: A molecular dynamics study on the structural and electronic properties of two-dimensional icosahedral B12 cluster based structures Cherno Baba Kah, M. Yu, C.S. Jayanthi, S.Y. Wu Preview Abstract
Wednesday, March 5, 2014 10:36AM - 10:48AM		L31.00012: Temperature Effects on Optical Spectra of Monolayer MoS2 Li Yang Preview Abstract
Wednesday, March 5, 2014 10:48AM - 11:00AM		L31.00013: Magnetization and magnetic anisotropy of 3d adatoms on a MoS$_{2}$ monolayer Marcio Costa, Jun Hu, Ruqian Wu 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 L31: Focus Session: Computational Discovery and Design of New Materials III

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