Computational Design, Understanding and Discovery of Novel Materials VII

Presentations

• Predicting defects and doping of semiconductors - progress toward high-throughput calculations and relevance to materials discovery

  ORAL · Invited

  March 9, 2023, 11:00 AM – March 9, 2023, 11:36 AM

  Presenters

  • Vladan Stevanovic

    Colorado School of Mines, FIAP

  Authors

  • Vladan Stevanovic

    Colorado School of Mines, FIAP

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• Structural characterization of boron-doped alumina for smart lubricants

  ORAL

  March 9, 2023, 11:36 AM – March 9, 2023, 11:48 AM

  Presenters

  • Nicholas J Wilson

    University of Texas at El Paso

  Authors

  • Nicholas J Wilson

    University of Texas at El Paso

  • Todd Lombardi

    University of Missouri

  • Ashish K Kasar

    University of Nevada, Reno

  • William Wolfs

    University of Nevada, Las Vegas

  • Pradeep L Menezes

    University of Nevada, Reno

  • Eunja Kim

    University of Texas at El Paso, University of Texas at El Paso (UTEP), University of Nevada, Las Vegas

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• Theoretical investigation of growth mode for oxidation resistance copper film

  ORAL

  March 9, 2023, 11:48 AM – March 9, 2023, 12:00 PM

  Presenters

  • Bipin Lamichhane

    Mississippi State University

  Authors

  • Bipin Lamichhane

    Mississippi State University

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• Examining the Ethane Selective Potential of MOFs for Ethylene Purification

  ORAL

  March 9, 2023, 12:00 PM – March 9, 2023, 12:12 PM

  Presenters

  • Wells W Graham

    Wake Forest University

  Authors

  • Wells W Graham

    Wake Forest University

  • Jing Li

    Rutgers University

  • Feng Xie

    Rutgers University

  • Timo Thonhauser

    Wake Forest University

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• Modeling electronic coupling between Heme groups in extracellular cytochrome polymers with first-principles density functional theory

  ORAL

  March 9, 2023, 12:12 PM – March 9, 2023, 12:24 PM

  Presenters

  • Luke Nambi Mohanam

    Boston University

  Authors

  • Luke Nambi Mohanam

    Boston University

  • Yuanming Song

    University of California, Irvine

  • Rafael Umeda

    University of California, Irvine

  • Khawla Mustafa

    University of California, Irvine

  • Douglas J Tobias

    University of California, Irvine

  • Allon I Hochbaum

    University of California, Irvine

  • Ruqian Wu

    University of California, Irvine

  • Sahar Sharifzadeh

    Boston University

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• Metavalent Bonding Origins of Unusual Properties of Group IV Chacogenides

  ORAL

  March 9, 2023, 12:24 PM – March 9, 2023, 12:36 PM

  Publication: Metavalent Bonding Origins of Unusual Properties of Group IV Chalcogenides <br>Raagya Arora, Umesh V. Waghmare and C. N. R. Rao (Manuscript Submitted)

  Presenters

  • Raagya Arora

    Jawaharlal Nehru Centre for Advanced Scientific Research, Bengaluru, India

  Authors

  • Raagya Arora

    Jawaharlal Nehru Centre for Advanced Scientific Research, Bengaluru, India

  • Umesh V Waghmare

    Jawaharlal Nehru Centre for Advanced Scientific Research, Bengaluru, India, Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore,

  • C. N. R. Rao

    Jawaharlal Nehru Centre for Advanced Scientific Research, Bengaluru, India

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• Coherent Ising machine for the reverse design of composite material

  ORAL

  March 9, 2023, 12:36 PM – March 9, 2023, 12:48 PM

  Presenters

  • Juan Han

    Chinese Physical Society

  Authors

  • Juan Han

    Chinese Physical Society

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