Computational Discovery and Design of Novel Materials VII
FOCUS · P26 ·
Presentations
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Identification of nonradiative recombination centers in GaN
COFFEE_KLATCH · Invited
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Authors
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Darshana Wickramaratne
- University of California, Santa Barbara
- Univ of California - Santa Barbara
- Materials Department, UC Santa Barbara
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Electronic properties of ultra-wide-band-gap nitride alloys from first principles
ORAL
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Authors
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Jimmy-Xuan Shen
- Univ of California - Santa Barbara
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Darshana Wickramaratne
- Univ of California - Santa Barbara
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Chris Van de Walle
- Univ of California - Santa Barbara
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Acoustic-optical phonon branch crossings and lattice thermal transport in La$_3$Cu$_3$X$_4$ (X = P, As, Sb, and Bi) systems
ORAL
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Authors
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Tribhuwan Pandey
- Oak Ridge National Laboratory
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Carlos Polanco
- Oak Ridge National Laboratory
- Materials Theory Group, Oak Ridge National Laboratory
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Lucas Lindsay
- Oak Ridge National Laboratory
- Materials Theory Group, Oak Ridge National Laboratory
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David Parker
- Oak Ridge National Laboratory
- Oak Ridge National Lab
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Polymorphism in transition metal compounds: An LDA+Rotationally-invariant slave-boson study
ORAL
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Authors
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Tsung-Han Lee
- Florida State University and National High Magnetic Field Laboratory
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Nicola Lanata
- Florida State University and National High Magnetic Field Laboratory
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Yongxin Yao
- Ames Laboratory and Iowa State University
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Vladan Stevanovic
- Colorado School of Mines and National Renewable Energy Laboratory
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Vladimir Dobrosavljevic
- Florida State University and National High Magnetic Field Laboratory
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Band unfolding scheme for one-dimensional semiconductor nanowires
ORAL
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Authors
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Sunghyun Kim
- Dept. Physics, Korea Advanced Institute of Science and Technology
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Keejoo Chang
- Dept. Physics, Korea Advanced Institute of Science and Technology
- Department of Physics, Korea Advanced Institute of Science and Technology
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From tetrahedral networks to (meta-) stable ice structures: a theoretical study
ORAL
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Authors
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Edgar Engel
- University of Cambridge, Cambridge, UK
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Chris Pickard
- University of Cambridge, Cambridge, UK
- University of Cambridge
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Richard Needs
- University of Cambridge, Cambridge, UK
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Michele Ceriotti
- EPFL, Lausanne, Switzerland
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Andrea Anelli
- EPFL, Lausanne, Switzerland
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Crystal structure prediction supported with diffraction data
ORAL
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Authors
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Naoto Tsujimoto
- Department of Physics, The University of Tokyo
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Daiki Adachi
- Department of Physics, The University of Tokyo
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Synge Todo
- Department of Physics, The University of Tokyo and Institute of Solid State Physics, The University of Tokyo
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Ryosuke Akashi
- Department of Physics, The University of Tokyo
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Shinji Tsuneyuki
- Department of Physics, The University of Tokyo and Institute of Solid State Physics, The University of Tokyo
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The Thermodynamic Scale of Inorganic Crystalline Metastability
ORAL
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Authors
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Wenhao Sun
- MIT
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Stephen Dacek
- MIT
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Shyue Ping Ong
- UCSD
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Geoffroy Hautier
- UC Louvain
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Anubhav Jain
- LBNL
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William Richards
- MIT
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Anthony Gamst
- UCSD
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Kristin Persson
- LBNL
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Gerbrand Ceder
- LBNL
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Role of Features in the Adaptive Design of Materials
ORAL
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Authors
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Prasanna Balachandran
- Los Alamos National Laboratory
- Los Alamos Natl Lab
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Turab Lookman
- Los Alamos National Laboratory
- Los Alamos Natl Lab
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Thermomechanical properties in the AFLOW distributed database
ORAL
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Authors
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Cormac Toher
- Dept. of Mechanical Engineering and Materials Science, Duke University, Durham, NC
- Duke University
- Duke Univ
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Corey Oses
- Dept. of Mechanical Engineering and Materials Science, Duke University, Durham, NC
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Jose J. Plata
- Dept. of Mechanical Engineering and Materials Science, Duke University, Durham, NC
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David Hicks
- Dept. of Mechanical Engineering and Materials Science, Duke University, Durham, NC
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Frisco Rose
- Dept. of Mechanical Engineering and Materials Science, Duke University, Durham, NC
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Ohad Levy
- Dept. of Mechanical Engineering and Materials Science, Duke University, Durham, NC
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Maarten de Jong
- Dept. of Materials Science, UC Berkeley, CA
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Mark Asta
- Dept. of Materials Science, UC Berkeley, CA
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Olexandr Isayev
- School of Pharmacy, UNC, Chapel Hill, NC
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Alexander Tropsha
- School of Pharmacy, UNC, Chapel Hill, NC
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Marco Fornari
- Dept. of Physics, Central Michigan University, Mount Pleasant, MI
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Marco Buongiorno Nardelli
- Dept. of Physics, Univ. of North Texas, Denton, TX
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Stefano Curtarolo
- Materials Science, Electrical Engineering, Physics and Chemistry, Duke University, Durham, NC
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Ab initio structure prediction of silicon and germanium sulfides for lithium-ion battery materials
ORAL
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Authors
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Connie Hsueh
- Stanford University
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Martin Mayo
- Theory of Condensed Matter, University of Cambridge
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Andrew J. Morris
- Theory of Condensed Matter, University of Cambridge
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Electrostatic screening in supercell calculations of formation energies of charged-defects
ORAL
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Authors
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Yuning Wu
- Univ of Florida - Gainesville
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Sokrates T. Pantelides
- Vanderbilt University
- Vanderbilt University, USA, Oak Ridge National Laboratory, USA
- Vanderbilt University, Oak Ridge National Lab
- Vanderbilt University, USA
- Vanderbilt Univ.
- Department of Physics and Astronomy, Vanderbilt University
- Department of Physics and Astronomy and Department of Electrical Engineering and Computer Science, Vanderbilt University
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Xiaoguang Zhang
- Univ of Florida - Gainesville
- Department of Physics and the Quantum Theory Project, University of Florida, Gainesville, Florida
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