Computational Discovery and Design of Novel Materials VI
FOCUS · H1 ·
Presentations
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Computational Design of Nanostructured Thermoelectrics
COFFEE_KLATCH · Invited
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Authors
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Chris Wolverton
- Northwestern University
- Material Science and Engineering Department, Northwestern University
- Northwestern Univ
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An Automated Ab Initio Framework for Identifying New Ferroelectrics
ORAL
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Authors
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Tess Smidt
- Physics Department, UC Berkeley; Molecular Foundry, Lawrence Berkeley National Lab
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Sebastian E. Reyes-Lillo
- Molecular Foundry, LBNL; Dept. of Physics, UC Berkeley
- Physics Department, UC Berkeley; Molecular Foundry, Lawrence Berkeley National Lab
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Anubhav Jain
- Material Science Division, Lawrence Berkeley National Lab
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Jeffrey B. Neaton
- Department of Physics, UC Berkeley; Molecular Foundry, LBNL
- Department of Physics, UC Berkeley & Molecular Foundry, LBNL
- Department of Physics, UC Berkeley; Molecular Foundry, LBNL; Kavli Energy NanoScience Institute
- Department of Physics, University of California, Berkeley
- Lawrence Berkeley National Laboratory
- Molecular Foundry, LBNL; Dept. of Physics, UC Berkeley; Kavli ENSI
- LBNL
- Univ of California - Berkeley, Lawrence Berkeley National Lab
- Physics, UC Berkeley, and Molecular Foundry, LBNL
- University of California
- Molecular Foundry, Lawrence Berkeley National Lab; Dept. of Physics, University of California Berkeley; Kavli NanoScience Institute, Berkeley, CA, USA
- Department of Physics, UC Berkeley; Molecular Foundry, LBNL; Kavli Energy NanoSciences Institute at Berkeley
- Physics Department, UC Berkeley; Molecular Foundry, Lawrence Berkeley National Lab; Kavli Energy NanoSciences Institute at Berkeley
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Computational and Experimental Design of Functional Deep-Ultraviolet Non-Linear Optical Materials
ORAL
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Authors
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Joshua Young
- Northwestern University
- Drexel University
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James Rondinelli
- Northwestern Univ
- Northwestern University
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Hongwei Yu
- University of Houston
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Hongping Wu
- University of Houston
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Weiguo Zhang
- University of Houston
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P. Shiv Halasyamani
- University of Houston
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Data Mining for 3D Organic Dirac Materials
ORAL
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Authors
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Matthias Geilhufe
- Nordita, KTH Royal Institute of Technology and Stockholm University, Sweden
- Nordita, Center for Quantum Materials, KTH Royal Institute of Technology and Stockholm University, Roslagstullsbacken 23, SE-106 91 Stockholm, Sweden
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Stanislav Borysov
- Nordita, KTH Royal Institute of Technology and Stockholm University, Sweden
- Nordita, Center for Quantum Materials, KTH Royal Institute of Technology and Stockholm University, Roslagstullsbacken 23, SE-106 91 Stockholm, Sweden
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Adrien Bouhon
- Department of Physics and Astronomy, Uppsala University, Sweden
- Uppsala Univ
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Alexander Balatsky
- Nordita, KTH Royal Institute of Technology, Stockholm University and Los Alamos National Laboratory
- Nordita, KTH Royal Institute of Technology and Stockholm University; Institute for Materials Science, Los Alamos National Laboratory, USA
- Nordita, Center for Quantum Materials, KTH Royal Institute of Technology and Stockholm University, Stockholm, Sweden
- Nordita, KTH Royal Institute of Technology and Stockholm University; Institute for Materials Science, Los Alamos National Laboratory
- Los Alamos National Laboratory, NORDITA
- Institute for Materials Science, Los Alamos National Laboratory, USA; Nordita, KTH Royal Institute of Technology and Stockholm University, Sweden
- Nordita, Center for Quantum Materials, KTH Royal Institute of Technology and Stockholm University, Roslagstullsbacken 23, SE-106 91 Stockholm, Sweden
- Nordita, Center for Quantum Materials, Stockholm University and KTH, Stockholm and Institute for Materials Science, LANL, Los Alamos, USA
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Data-driven discovery of new Dirac semimetal materials
ORAL
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Authors
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Qimin Yan
- Temple University, Lawrence Berkeley National Laboratory
- Temple University
- Department of Physics, UC Berkeley; Molecular Foundry, LBNL; Department of Physics, Temple University
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Ru Chen
- Lawrence Berkeley National Laboratory
- Department of Physics, UC Berkeley; Molecular Foundry, LBNL
- Lawrence Berkeley National Lab; University of California, Berkeley
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Jeffrey B. Neaton
- Department of Physics, UC Berkeley; Molecular Foundry, LBNL
- Department of Physics, UC Berkeley & Molecular Foundry, LBNL
- Department of Physics, UC Berkeley; Molecular Foundry, LBNL; Kavli Energy NanoScience Institute
- Department of Physics, University of California, Berkeley
- Lawrence Berkeley National Laboratory
- Molecular Foundry, LBNL; Dept. of Physics, UC Berkeley; Kavli ENSI
- LBNL
- Univ of California - Berkeley, Lawrence Berkeley National Lab
- Physics, UC Berkeley, and Molecular Foundry, LBNL
- University of California
- Molecular Foundry, Lawrence Berkeley National Lab; Dept. of Physics, University of California Berkeley; Kavli NanoScience Institute, Berkeley, CA, USA
- Department of Physics, UC Berkeley; Molecular Foundry, LBNL; Kavli Energy NanoSciences Institute at Berkeley
- Physics Department, UC Berkeley; Molecular Foundry, Lawrence Berkeley National Lab; Kavli Energy NanoSciences Institute at Berkeley
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Designing nanostructured mixed Heusler systems for improved thermoelectrics
ORAL
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Authors
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Vancho Kocevski
- Material Science and Engineering Department, Northwestern University
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Chris Wolverton
- Northwestern University
- Material Science and Engineering Department, Northwestern University
- Northwestern Univ
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Design a giant 3D quantum spin Hall insulator with double pervoskites
ORAL
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Authors
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Hui Wang
- Department of Physics and Astronomy, University of California, Irvine
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Shu-Ting Pi
- Department of Physics and Astronomy, University of California, Irvine
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Jeongwoo Kim
- Department of Physics and Astronomy, University of California, Irvine
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Yin-Kou Wang
- Center of General Education, National Taiwan Normal University
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Chi-Ken Lu
- Department of Physics, National Taiwan Normal University
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Ruqian Wu
- Department of Physics and Astronomy, University of California, Irvine
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High-Throughput study of chemical substitution in clay minerals
ORAL
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Authors
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Priya Gopal
- Central Michigan University, MI,
- Central Michigan University, MI
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Marta Gusmao
- Federal University of Amazonas, Manaus, Brazil
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Andrew Supka
- Central Michigan University, MI
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Marco Fornari
- Central Michigan University, MI,
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Marco Buongiorno Nardelli
- University of North Texas, Denton TX
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Simulated Scattering of Coherent X-rays from Dynamic GaN Crystal Surfaces
ORAL
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Authors
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Dongwei Xu
- Argonne Natl Lab
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Carol Thompson
- Northern Illinois University
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Peter Zapol
- Argonne Natl Lab
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G. Brian Stephenson
- Argonne Natl Lab
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Monovacancy Properties From Atomistic Simulations Based on OpenKIM
ORAL
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Authors
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Junhao Li
- Cornell Univ
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James P. Sethna
- Cornell
- Cornell University
- Cornell Univ
- Department of Physics, Cornell University, Ithaca, New York 14850, USA
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Data assimilation based on 4DVar for structural materials
ORAL
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Authors
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Hiromichi Nagao
- The University of Tokyo
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Shin-ichi Ito
- The University of Tokyo
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Tadashi Kasuya
- The University of Tokyo
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Junya Inoue
- The University of Tokyo
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Advanced understanding of paper coating structure and its relationship to coating performance
ORAL
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Authors
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Jian Yang
- The Dow Chemical Company
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Lanfang Li
- The Dow Chemical Company
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John Roper
- The Dow Chemical Company
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Valeriy Ginzburg
- The Dow Chemical Company
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Colmar Wocke
- The Dow Chemical Company
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Rebecca Smith
- The Dow Chemical Company
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