Bulletin of the American Physical Society

APS March Meeting 2016

Volume 61, Number 2

Monday–Friday, March 14–18, 2016; Baltimore, Maryland

Session Index

Session K23: Focus Topic: Computational Materials Discovery and Design - Structure Prediction and Phase Diagrams

Focus

Show Abstracts

Sponsoring Units: DMP DCOMP
Chair: Stephan Lany, National Renewable Energy Laboratory
Room: 322

Wednesday, March 16, 2016 8:00AM - 8:36AM		K23.00001: Entropy descriptors and Entropy Stabilized Oxides Invited Speaker: Stefano Curtarolo Preview Abstract
Wednesday, March 16, 2016 8:36AM - 8:48AM		K23.00002: Computational Discovery of New Heusler Compounds: Structures, Stabilities, and Applications Jiangang He, Vinay Hegde, Chris Wolverton Preview Abstract
Wednesday, March 16, 2016 8:48AM - 9:00AM		K23.00003: Discovering complete pressure-temperature phase diagrams with Hamiltonian Monte Carlo nested sampling Robert Baldock, Noam Bernstein, Livia Bart\'ok-Part\'ay, G\'abor Cs\'anyi Preview Abstract
Wednesday, March 16, 2016 9:00AM - 9:12AM		K23.00004: Equilibrium phase diagrams of alloys using nested sampling Noam Bernstein, Robert J N Baldock, Livia Bart\'ok-Part\'ay, G\'abor Cs\'anyi Preview Abstract
Wednesday, March 16, 2016 9:12AM - 9:48AM		K23.00005: Taking Materials Design Into The Space Of Polymorphs: Structure Predictions And Realizability Invited Speaker: Vladan Stevanovic Preview Abstract
Wednesday, March 16, 2016 9:48AM - 10:00AM		K23.00006: Prediction of boron carbon nitrogen phase diagram Sanxi Yao, Hantao Zhang, Michael Widom Preview Abstract
Wednesday, March 16, 2016 10:00AM - 10:12AM		K23.00007: Design and discovery of heterostructural alloys Aaron Holder, Sebastian Siol, Paul Ndione, Haowei Peng, Andriy Zakutayev, Stephan Lany, Bethany Matthews, Janet Tate, Brian Gorman, Roy Gordon, Laura Schelhas, Mike Toney Preview Abstract
Wednesday, March 16, 2016 10:12AM - 10:24AM		K23.00008: Informatics-aided computational design of functional layered oxides Prasanna V Balachandran, Joshua Young, Turab Lookman, James Rondinelli Preview Abstract
Wednesday, March 16, 2016 10:24AM - 10:36AM		K23.00009: Computational Discovery of Materials Using the Firefly Algorithm Guillermo Avendaño-Franco, Aldo Romero Preview Abstract
Wednesday, March 16, 2016 10:36AM - 10:48AM		K23.00010: Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure Jose Flores Livas, Maximilian Amsler, Antonio Sanna, Christoph Heil, Lilia Boeri, Gianni Profeta, Crhis Wolverton, Stefan Goedecker, E. K. U. Gross Preview Abstract
Wednesday, March 16, 2016 10:48AM - 11:00AM		K23.00011: Hybrid MC/MD Method For High Entropy Alloy Bojun Feng, Michael Widom Preview Abstract

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Bulletin of the American Physical Society

APS March Meeting 2016

Volume 61, Number 2

Monday–Friday, March 14–18, 2016; Baltimore, Maryland

Session Index

Session K23: Focus Topic: Computational Materials Discovery and Design - Structure Prediction and Phase Diagrams

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