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 A1: Computational Discovery and Design of Novel Materials I

Focus Session

Show Abstracts

Sponsoring Units: DMP DCOMP
Chair: Anatole von Lilienfeld, University of Basel
Room: 260

Monday, March 13, 2017 8:00AM - 8:12AM		A1.00001: Combining first principles modeling, experimental inputs, and machine learning for nanocatalysts design Fatih Sen, Spencer Hills, Alper Kinaci, Badri Narayanan, Michael Davis, Stephen Gray, Subramanian Sankaranarayanan, Maria Chan Preview Abstract
Monday, March 13, 2017 8:12AM - 8:24AM		A1.00002: Automatic high-throughput screening of colloidal crystals using machine learning Matthew Spellings, Sharon C. Glotzer Preview Abstract
Monday, March 13, 2017 8:24AM - 8:36AM		A1.00003: Comparative Analysis of Particle Swarm and Differential Evolution via Tuning on Ultrasmall Titanium Oxide Nanoclusters Eric Inclan, Jack Lassester, David Geohegan, Mina Yoon Preview Abstract
Monday, March 13, 2017 8:36AM - 8:48AM		A1.00004: Using Machine Learning to Improve Cluster Expansion Predictions Wiley Morgan, Kevin Francis, Gus Hart Preview Abstract
Monday, March 13, 2017 8:48AM - 9:00AM		A1.00005: Why is Formation Enthalpy Bad for Cluster Expansion Fitting? Andrew Nguyen, Mark Transtrum, Gus Hart Preview Abstract
Monday, March 13, 2017 9:00AM - 9:12AM		A1.00006: Invariant Representations for Robust Materials Prediction Gus Hart, Conrad Rosenbrock, Gabor Csanyi Preview Abstract
Monday, March 13, 2017 9:12AM - 9:48AM		A1.00007: TBD - Computational Discovery and Design of Novel Materials Invited Speaker: Risi Kondor Preview Abstract
Monday, March 13, 2017 9:48AM - 10:00AM		A1.00008: Invariance to deformations: A new representation for materials space Chandramouli Nyshadham, Gus L. W. Hart Preview Abstract
Monday, March 13, 2017 10:00AM - 10:12AM		A1.00009: Geometric space - the extension of extremely dense unit cells Antony Bourdillon Preview Abstract
Monday, March 13, 2017 10:12AM - 10:24AM		A1.00010: Making Sense of the Multitude of Brillouin Zone Integration Methods Jeremy Jorgensen, Gus Hart Preview Abstract
Monday, March 13, 2017 10:24AM - 10:36AM		A1.00011: Enhancements to the $k$-point grid server: generating highly efficient grids through the use of informatics Pandu Wisesa, Wan Wan, Tim Mueller Preview Abstract
Monday, March 13, 2017 10:36AM - 10:48AM		A1.00012: A Computational Framework for Automation of Point Defect Calculations Anuj Goyal, Prashun Gorai, Haowei Peng, Stephan Lany, Vladan Stevanovic Preview Abstract
Monday, March 13, 2017 10:48AM - 11:00AM		A1.00013: Accurate atomistic potentials and training sets for boron-nitride nanostructures Isaac Tamblyn 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 A1: Computational Discovery and Design of Novel Materials I

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