Disordered Materials III: Oxides
FOCUS · MAR-L44 · ID: MAR-L44
Presentations
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Ab Initio Insights into Amorphous Oxides and Short-Range Order in Quantum and Electrochemical Systems
Invited-In-person · Invited
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Publication: Phys. Rev. Applied 23, 064062 (2025); https://arxiv.org/abs/2509.08253
Presenters
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James Rondinelli
- Northwestern University
Authors
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James 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-In-person
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Presenters
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Amar Ghimire
- University of North Texas
Authors
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Amar Ghimire
- University of North Texas
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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-In-person
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Presenters
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Xing He
- University of Pennsylvania
Authors
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Xing He
- University of Pennsylvania
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Kairi Masuda
- University of Pennsylvania
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Aaron Schankler
- UNC Chapel Hill
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songsong zhou
- University of Pennsylvania
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Andrew Rappe
- University of Pennsylvania
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Computational Investigation of Optical Properties of Oxygen Non-Stoichiometry in Amorphous TiO<sub>2</sub>:GeO<sub>2</sub>
Oral-In-person
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Presenters
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Ian Berry
- Northeastern University
Authors
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Ian Berry
- Northeastern University
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Jun Jiang
- Northeastern University
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Hai-Ping Cheng
- Northeastern University
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Optical Absorption in Amorphous TiO<sub>2</sub>-doped GeO<sub>2</sub> Films from Ab-Initio Calculations
Oral-In-person
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Presenters
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Kiran Prasai
- Kennesaw State University
Authors
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Kiran Prasai
- Kennesaw State University
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Effective bands and band-like electron transport in amorphous solids
Oral-In-person
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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
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Vladan Stevanovic
- Colorado School of Mines
Authors
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Vladan Stevanovic
- Colorado School of Mines
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Matthew Jankousky
- Colorado School of Mines
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Dimitar Pashov
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João Mazo
- Colorado School of Mines
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Ross Larsen
- National Laboratory of the Rockies
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Vladimir Dobrosavljevic
- Florida State University
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Mark van Schilfgaarde
- National Renewable Energy Laboratory (NREL)
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Excitons in Glasses from First Principles
Oral-In-person
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Presenters
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João Mazo
- Colorado School of Mines
Authors
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João Mazo
- Colorado School of Mines
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Matthew Jankousky
- Colorado School of Mines
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Dimitar Pashov
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Mark van Schilfgaarde
- National Renewable Energy Laboratory (NREL)
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Vladan Stevanovic
- Colorado School of Mines
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Second Harmonic Generation in Imperfect Crystals
Oral-In-person
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Presenters
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Michael Waters
- Northwestern University
Authors
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Michael Waters
- Northwestern University
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James Rondinelli
- Northwestern University
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Lattice temperature induced second harmonic generation in SrTiO<sub>3</sub> from first-principles
Oral-In-person
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Presenters
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Junehu Park
- University of Illinois at Urbana-Champaign
Authors
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Junehu Park
- University of Illinois at Urbana-Champaign
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Vijaya Begum-Hudde
- University of Illinois at Urbana-Champaign
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Markus Gruner
- University of Duisburg-Essen
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Andri Darmawan
- University of Duisburg-Essen
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Manish Verma
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Rossitza Pentcheva
- University of Duisburg-Essen
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Andre Schleife
- University of Illinois at Urbana-Champaign
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Percolation of In(III) in mixed perovskites of (PCA)<sub>2</sub>Cu(II)Cl<sub>4</sub> and (PCA)<sub>4</sub>Cu(I)In(III)Cl<sub>8</sub>
Oral-In-person
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Presenters
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Steven Baksa
- Northwestern University
Authors
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Steven Baksa
- Northwestern University
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Abhinav Roy
- Northwestern University
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James Rondinelli
- Northwestern University
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