Computational design and discovery of novel materials II

Presentations

• Inverse Design of Soft Materials: Crystals, Quasi Crystals, Liquid Crystals

  Invited

  March 4, 2020, 2:30 PM – March 4, 2020, 3:06 PM

  Presenters

  • Marjolein Dijkstra

    • Debye Institute for Nanomaterials Science, Utrecht University

  Authors

  • Marjolein Dijkstra

    • Debye Institute for Nanomaterials Science, Utrecht University

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• Hard Particle Colloidal Clathrates with Rotating Guest

  ORAL

  March 4, 2020, 3:06 PM – March 4, 2020, 3:18 PM

  Presenters

  • Sangmin Lee

    • Chemical Engineering, University of Michigan

  Authors

  • Sangmin Lee

    • Chemical Engineering, University of Michigan

  • Sharon C Glotzer

    • Univ of Michigan - Ann Arbor
    • Chemical Engineering, University of Michigan
    • University of Michigan
    • Chemical Engineering, University of Michigan - Ann Arbor

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• Symmetry-based discovery of multicomponent, two-dimensional colloidal crystals

  ORAL

  March 4, 2020, 3:18 PM – March 4, 2020, 3:30 PM

  Presenters

  • Nathan Mahynski

    • National Institute of Standards and Technology

  Authors

  • Nathan Mahynski

    • National Institute of Standards and Technology

  • Evan Pretti

    • Lehigh University

  • Vincent Shen

    • National Institute of Standards and Technology

  • Jeetain Mittal

    • Lehigh University

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• Why integer valence point-charge model works so well

  ORAL

  March 4, 2020, 3:30 PM – March 4, 2020, 3:42 PM

  Presenters

  • Ruoshi Jiang

    • Tsung-Dao Lee Institute

  Authors

  • Ruoshi Jiang

    • Tsung-Dao Lee Institute

  • XIANG LI

    • Shanghai Jiao Tong University

  • Xinyao Zhang

    • Tsung-Dao Lee Institute

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• Integrated Particle and Field-Theoretic Simulations: A Multiscale Approach to Complex Soft Matter Formulations

  ORAL

  March 4, 2020, 3:42 PM – March 4, 2020, 3:54 PM

  Presenters

  • Nick Sherck

    • University of California, Santa Barbara
    • Chemical Engineering, University of California, Santa Barbara

  Authors

  • Nick Sherck

    • University of California, Santa Barbara
    • Chemical Engineering, University of California, Santa Barbara

  • Kris T Delaney

    • University of California, Santa Barbara

  • scott shell

    • University of California, Santa Barbara
    • Chemical Engineering, University of California, Santa Barbara

  • Glenn H Fredrickson

    • University of California, Santa Barbara
    • Chemical Engineering, University of California, Santa Barbara

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• First principles investigations of orthorhombic-cubic phase transition and its effect on thermoelectric properties in cobalt-based ternary alloys.

  ORAL

  March 4, 2020, 3:54 PM – March 4, 2020, 4:06 PM

  Presenters

  • Hem Kandpal

    • Chemistry, Indian Institute of Technology Roorkee

  Authors

  • Hem Kandpal

    • Chemistry, Indian Institute of Technology Roorkee

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• Unexpected Photonic Band Gaps in 3D Crystal Structures

  ORAL

  March 4, 2020, 4:06 PM – March 4, 2020, 4:18 PM

  Presenters

  • Rose Cersonsky

    • Macromolecular Science and Engineering Program, University of Michigan

  Authors

  • Rose Cersonsky

    • Macromolecular Science and Engineering Program, University of Michigan

  • James A. Antonaglia

    • Department of Physics, University of Michigan

  • Bradley Dice

    • Department of Physics, University of Michigan

  • Sharon C Glotzer

    • Chemical Engineering, Univ of Michigan - Ann Arbor
    • Department of Chemical Engineering, University of Michigan
    • Univ of Michigan - Ann Arbor

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• A mesoscale lattice model and atomistic simulations of controlled drug release

  ORAL

  March 4, 2020, 4:18 PM – March 4, 2020, 4:30 PM

  Presenters

  • Prateek Jha

    • Indian Institute of Technology Roorkee

  Authors

  • Kulveer Singh

    • Indian Institute of Technology Roorkee

  • Ratna Sandeep Katiyar

    • Indian Institute of Technology Roorkee

  • Soumitra Satapathi

    • Indian Institute of Technology Roorkee
    • Indian Inst of Technology Roorkee

  • Prateek Jha

    • Indian Institute of Technology Roorkee

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• Van der Waals Metamaterials

  ORAL

  March 4, 2020, 4:30 PM – March 4, 2020, 4:42 PM

  Presenters

  • Syeda Minhal Gardezi

    • Harvard University

  Authors

  • Syeda Minhal Gardezi

    • Harvard University

  • Harris Pirie

    • Harvard University
    • Department of Physics, Harvard University

  • William Dorrell

    • Harvard University

  • Nathan C Drucker

    • Harvard University

  • Fan Du

    • Harvard University

  • Jennifer E. Hoffman

    • Harvard University
    • Physics, Harvard University
    • Department of Physics, Harvard University

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• Development of an implicit solvent model for the interfacial configuration of colloidal nanoparticles and application to the interfacial self-assembly of truncated cubes

  ORAL

  March 4, 2020, 4:42 PM – March 4, 2020, 4:54 PM

  Presenters

  • Unmukt Gupta

    • Cornell University

  Authors

  • Unmukt Gupta

    • Cornell University

  • Fernando A Escobedo

    • Cornell University

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• First-principles study on the stable hydrogen configuration in SrVO₂H

  ORAL

  March 4, 2020, 4:54 PM – March 4, 2020, 5:06 PM

  Presenters

  • Masayuki Ochi

    • Physics, Osaka University
    • Department of Physics, Osaka University
    • Osaka Univ
    • Osaka University

  Authors

  • Masayuki Ochi

    • Physics, Osaka University
    • Department of Physics, Osaka University
    • Osaka Univ
    • Osaka University

  • Kazuhiko Kuroki

    • Department of Physics, Graduate School of Science, Osaka University
    • Department of Physics, Osaka University
    • Osaka Univ
    • Osaka University

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• Understanding Li-ion Diffusion Through Artificial SEI Coating Layers

  ORAL

  March 4, 2020, 5:06 PM – March 4, 2020, 5:18 PM

  Presenters

  • Angela Harper

    • Univ of Cambridge

  Authors

  • Angela Harper

    • Univ of Cambridge

  • Steffen Emge

    • Chemistry, University of Cambridge

  • Andrew J Morris

    • Metallurgy and Materials, University of Birmingham
    • Univ of Birmingham

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• Finger prints based biasing for finding complex reaction pathways.

  ORAL

  March 4, 2020, 5:18 PM – March 4, 2020, 5:30 PM

  Presenters

  • Deb De

    • University of Basel

  Authors

  • Deb De

    • University of Basel

  • Marco Krummenacher

    • University of Basel

  • Bastian Schaefer

    • University of Basel

  • Stefan A C Goedecker

    • University of Basel

  View abstract →