Disordered Materials III: Oxides

Presentations

• Ab Initio Insights into Amorphous Oxides and Short-Range Order in Quantum and Electrochemical Systems

  ORAL · Invited

  March 18, 2026, 8:00 AM – March 18, 2026, 8:36 AM

  Publication: Phys. Rev. Applied 23, 064062 (2025); https://arxiv.org/abs/2509.08253

  Presenters

  • James M Rondinelli

    • Northwestern University

  Authors

  • James M Rondinelli

    • Northwestern University

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• Data-Driven Exploration of Defects in Amorphous Oxides: Linking Empirical and Machine Learning Force Fields through Al₂O₃

  ORAL

  March 18, 2026, 8:36 AM – March 18, 2026, 8:48 AM

  Presenters

  • Amar R Ghimire

    • University of North Texas

  Authors

  • Amar R Ghimire

    • University of North Texas

  • Yuanxi Wang

    • University of North Texas

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• Predicting Complex Grain Boundary Structures in Oxide Ferroelectrics via Machine-Learning Accelerated Grand Canonical Monte Carlo

  ORAL

  March 18, 2026, 8:48 AM – March 18, 2026, 9:00 AM

  Presenters

  • Xing He

    • University of Pennsylvania
    • University of Minnesota

  Authors

  • Xing He

    • University of Pennsylvania
    • University of Minnesota

  • Kairi Masuda

    • University of Pennsylvania

  • Aaron M Schankler

    • UNC Chapel Hill

  • songsong zhou

    • University of Pennsylvania

  • Andrew M Rappe

    • University of Pennsylvania

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• Computational Investigation of Optical Properties of Oxygen Non-Stoichiometry in Amorphous TiO₂:GeO₂

  ORAL

  March 18, 2026, 9:00 AM – March 18, 2026, 9:12 AM

  Presenters

  • Ian Berry

    • Northeastern University

  Authors

  • Ian Berry

    • Northeastern University

  • Jun Jiang

    • Northeastern University

  • Hai-Ping Cheng

    • Northeastern University

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• Optical Absorption in Amorphous TiO₂-doped GeO₂ Films from Ab-Initio Calculations

  ORAL

  March 18, 2026, 9:12 AM – March 18, 2026, 9:24 AM

  Presenters

  • Kiran Prasai

    • Kennesaw State University

  Authors

  • Kiran Prasai

    • Kennesaw State University

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• Effective bands and band-like electron transport in amorphous solids

  ORAL

  March 18, 2026, 9:24 AM – March 18, 2026, 9:36 AM

  Publication: M. Jankousky, D. Pashov, J. H. Mazo, R. Larsen, V. Dobrosavljevic, M. van Schilfgaarde, and V. Stevanovic, "Effective bands and band-like electron transport in amorphous solids", Accepted in Nature Physics, arXiv preprint arXiv:2505.07707 (2025)

  Presenters

  • Vladan Stevanovic

    • Colorado School of Mines

  Authors

  • Vladan Stevanovic

    • Colorado School of Mines

  • Matthew Charles Jankousky

    • Colorado School of Mines

  • Dimitar Pashov

    • King's College London

  • João H Mazo

    • Colorado School of Mines

  • Ross Larsen

    • National Laboratory of the Rockies
    • National Renewable Energy Laboratory (NREL)

  • Vladimir Dobrosavljevic

    • Florida State University

  • Mark van Schilfgaarde

    • National Renewable Energy Laboratory
    • National Renewable Energy Laboratory (NREL)
    • National Laboratory of the Rockies

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• Excitons in Glasses from First Principles

  ORAL

  March 18, 2026, 9:36 AM – March 18, 2026, 9:48 AM

  Presenters

  • João H Mazo

    • Colorado School of Mines

  Authors

  • João H Mazo

    • Colorado School of Mines

  • Matthew Charles Jankousky

    • Colorado School of Mines

  • Dimitar Pashov

    • King's College London

  • Mark van Schilfgaarde

    • National Renewable Energy Laboratory
    • National Renewable Energy Laboratory (NREL)
    • National Laboratory of the Rockies

  • Vladan Stevanovic

    • Colorado School of Mines

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• Second Harmonic Generation in Imperfect Crystals

  ORAL

  March 18, 2026, 9:48 AM – March 18, 2026, 10:00 AM

  Presenters

  • Michael J Waters

    • Northwestern University

  Authors

  • Michael J Waters

    • Northwestern University

  • James M Rondinelli

    • Northwestern University

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• Lattice temperature induced second harmonic generation in SrTiO₃ from first-principles

  ORAL

  March 18, 2026, 10:00 AM – March 18, 2026, 10:12 AM

  Presenters

  • Junehu Park

    • University of Illinois at Urbana-Champaign

  Authors

  • Junehu Park

    • University of Illinois at Urbana-Champaign

  • Vijaya Begum-Hudde

    • University of Illinois at Urbana-Champaign

  • Markus Ernst Gruner

    • University of Duisburg-Essen

  • Andri Darmawan

    • University of Duisburg-Essen

  • Manish Verma

    • University of Duisburg-Essen

  • Rossitza Pentcheva

    • University of Duisburg-Essen

  • Andre Schleife

    • University of Illinois at Urbana-Champaign

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• Percolation of In(III) in mixed perovskites of (PCA)₂Cu(II)Cl₄ and (PCA)₄Cu(I)In(III)Cl₈

  ORAL

  March 18, 2026, 10:12 AM – March 18, 2026, 10:24 AM

  Presenters

  • Steven M Baksa

    • Northwestern University

  Authors

  • Steven M Baksa

    • Northwestern University

  • Abhinav Roy

    • Northwestern University

  • James M Rondinelli

    • Northwestern University

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