Predicting and Classifying Materials via High-Throughput Databases and Machine Learning I

Presentations

• Novel energy materials through structural search

  ORAL

  March 15, 2016, 8:00 AM – March 15, 2016, 8:12 AM

  Authors

  • Maximilian Amsler

    • Northwestern University

  • Stefan Goedecker

    • Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel, Switzerland
    • Basel University
    • Max-Planck Institut für Microstrukture Physics
    • University of Basel

  • Chris Wolverton

    • Northwestern Univ
    • Northwestern University

  View abstract →

• High-throughput Screening and Statistical Learning for the Design of Transparent Conducting Oxides

  ORAL

  March 15, 2016, 8:12 AM – March 15, 2016, 8:24 AM

  Authors

  • Christopher Sutton

    • Fritz Haber Institute of the Max Planck Society

  • Luca Ghiringhelli

    • Fritz Haber Institute of the Max Planck Society

  • Matthias Scheffler

    • Fritz Haber Institute
    • Fritz Haber Institute of the Max Planck Society
    • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany
    • Fritz-Haber-Institut der MPG, Berlin, DE

  View abstract →

• Many-body physics via machine learning

  ORAL

  March 15, 2016, 8:24 AM – March 15, 2016, 8:36 AM

  Authors

  • Louis-Francois Arsenault

    • Columbia Univ

  • O. Anatole von Lilienfeld

    • Argonne National Laboratories, Argonne, and Institute of Physical Chemistry, Chemistry Department, University of Basel
    • Basel Univ

  • Andrew J. Millis

    • Columbia University
    • Department of Physics, Columbia University
    • Columbia Univ

  View abstract →

• Deep Wavelet Scattering for Quantum Energy Regression

  COFFEE_KLATCH · Invited

  March 15, 2016, 8:36 AM – March 15, 2016, 9:12 AM

  Authors

  • Matthew Hirn

    • Michigan State University

  View abstract →

• Machine learning bandgaps of double perovskites

  ORAL

  March 15, 2016, 9:12 AM – March 15, 2016, 9:24 AM

  Authors

  • Ghanshyam Pilania

    • Los Alamos National Laboratory
    • Los Alamos Natl Lab

  • Arun Mannodi-Kanakkithodi

    • University of Connecticut

  • Blas Uberuaga

    • Los Alamos Natl Lab

  • Rampi Ramprasad

    • University of Connecticut

  • James Gubernatis

    • Theoretical Division, Los Alamos National Laboratory
    • Los Alamos Natl Lab

  • Turab Lookman

    • Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
    • Los Alamos National Laboratory
    • Los Alamos Natl Lab

  View abstract →

• A Multi-Objective Optimization Technique to Model the Pareto Front of Organic Dielectric Polymers

  ORAL

  March 15, 2016, 9:24 AM – March 15, 2016, 9:36 AM

  Authors

  • James Gubernatis

    • Theoretical Division, Los Alamos National Laboratory
    • Los Alamos Natl Lab

  • A. Mannodi-Kanakkithodi

    • Department of Materials Science and Engineering, University of Connecticut

  • R. Ramprasad

    • Department of Materials Science and Engineering, University of Connecticut

  • G. Pilania

    • Materials Science and Engineering Division, Los Alamos National Laboratory

  • T. Lookman

    • Theoretical Division, Los Alamos National Laboratory

  View abstract →

• A New Silicon Allotrope with a Direct Band Gap for Optoelectronic Applications

  ORAL

  March 15, 2016, 9:36 AM – March 15, 2016, 9:48 AM

  Authors

  • Yaguang Guo

    • peking university
    • Peking University

  • Qian Wang

    • Peking University

  • Yoshiyuki Kawazoe

    • Tohoku University

  • Puru Jena

    • Virginia Commonwealth Univ
    • Virginia Commonwealth University

  View abstract →

• A comprehensive polymer dataset for accelerated property prediction and design

  ORAL

  March 15, 2016, 9:48 AM – March 15, 2016, 10:00 AM

  Authors

  • Huan Tran

    • University of Connecticut, Institute of Materials Science
    • University of Connecticut

  • Arun Kumar Mannodi-Kanakkithodi

    • University of Connecticut

  • Chiho Kim

    • University of Connecticut

  • Vinit Sharma

    • Oak Ridge National Laboratory

  • Ghanshyam Pilania

    • Los Alamos National Laboratory
    • Los Alamos Natl Lab

  • Rampi Ramprasad

    • University of Connecticut

  View abstract →

• Application of Machine Learning tools to recognition of molecular patterns in STM images

  ORAL

  March 15, 2016, 10:00 AM – March 15, 2016, 10:12 AM

  Authors

  • Artem Maksov

    • UT/ORNL Bredesen Center

  • Maxim Ziatdinov

    • ORNL

  • Shintaro Fujii

    • Tokyo Institute of Technology

  • Manabu Kiguchi

    • Tokyo Institute of Technology

  • Shuhei Higashibayashi

    • Institute for Molecular Science

  • Hidehiro Sakurai

    • Osaka University

  • Sergei Kalinin

    • ORNL

  • Bobby Sumpter

    • ORNL

  View abstract →

• Accurate Models of Formation Enthalpy Created using Machine Learning and Voronoi Tessellations

  ORAL

  March 15, 2016, 10:12 AM – March 15, 2016, 10:24 AM

  Authors

  • Logan Ward

    • Northwestern Univ

  • Rosanne Liu

    • Northwestern Univ

  • Amar Krishna

    • Northwestern Univ

  • Vinay Hegde

    • Northwestern Univ

  • Ankit Agrawal

    • Northwestern Univ

  • Alok Choudhary

    • Northwestern Univ

  • Chris Wolverton

    • Northwestern Univ
    • Northwestern University

  View abstract →

• Description of interatomic interactions with neural networks

  ORAL

  March 15, 2016, 10:24 AM – March 15, 2016, 10:36 AM

  Authors

  • Samad Hajinazar

    • Binghamton University
    • Physics Department, Binghamton University

  • Junping Shao

    • Physics Department, Binghamton University

  • Aleksey N. Kolmogorov

    • Physics Department, Binghamton University

  View abstract →

• Learning targeted materials properties from data

  ORAL

  March 15, 2016, 10:36 AM – March 15, 2016, 10:48 AM

  Authors

  • Turab Lookman

    • Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
    • Los Alamos National Laboratory
    • Los Alamos Natl Lab

  • Prasanna V Balachandran

    • Los Alamos Natl Lab

  • Xue Dezhen

    • Los Alamos Natl Lab

  • James Theiler

    • Los Alamos Natl Lab

  • John Hogden

    • Los Alamos Natl Lab

  View abstract →

• Neural-network-biased genetic algorithms for materials design

  ORAL

  March 15, 2016, 10:48 AM – March 15, 2016, 11:00 AM

  Authors

  • Tarak Patra

    • The University of Akron

  • Venkatesh Meenakshisundaram

    • The University of Akron

  • David Simmons

    • The University of Akron

  View abstract →