Disordered Materials: II

Presentations

• Disorder, short-range order, and defect interactions in thermodynamic modeling from first-principles

  ORAL · Invited

  March 18, 2025, 6:00 PM – March 18, 2025, 6:36 PM

  Publication: [1] J.J. Cordell, J. Pan, A.C. Tamboli, G.J. Tucker, S. Lany, Phys. Rev. Mater. 5, 024604 (2021)<br>[2] C. Brooks and S. Lany, Phys. Rev. Mater. 8, L061201 (2024)<br>[3] A. Goyal, M.D. Sanders, R.P. O'Hayre, S. Lany, PRX Energy 3, 013008 (2024)

  Presenters

  • Stephan Lany

    National Renewable Energy Laboratory (NREL)

  Authors

  • Stephan Lany

    National Renewable Energy Laboratory (NREL)

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• Origins of thermal-conductivity anomalies in solids with controlled atomic disorder

  ORAL

  March 18, 2025, 6:36 PM – March 18, 2025, 6:48 PM

  Publication: [1] Simoncelli et al., PRX 12 (2022)<br>[2] Pazhedath et al., PRApplied 22 (2024)<br>[3] Harper et al., PRMaterials 8 (2024)<br>[4] Simoncelli et al., arXiv:2405.13161 (2024)

  Presenters

  • Michele Simoncelli

    Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, Univ of Cambridge, TCM group, Cavendish Laboratory, University of Cambridge

  Authors

  • Michele Simoncelli

    Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, Univ of Cambridge, TCM group, Cavendish Laboratory, University of Cambridge

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• Finite-Temperature Cation Disorder and Dynamics in ZnTiN2 with Equivariant Neural Network Potentials

  ORAL

  March 18, 2025, 6:48 PM – March 18, 2025, 7:00 PM

  Presenters

  • Armin Eghdami

    University of California, Berkeley

  Authors

  • Armin Eghdami

    University of California, Berkeley

  • Yusuf Shaidu

    University of California, Berkeley

  • Sijia Ke

    University of California, Berkeley

  • Jeffrey B Neaton

    Dept. of Physics, UC Berkeley; Materials Sciences Division, LBNL; Kavli Energy NanoScience Institute, UC Berkeley, Lawrence Berkeley National Laboratory and UC-Berkeley, Lawrence Berkeley National Laboratory

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• Phonon Lifetimes and Thermal Transport in Mass-Disordered Systems Using the Dynamical Cluster Approximation

  ORAL

  March 18, 2025, 7:00 PM – March 18, 2025, 7:12 PM

  Presenters

  • Ruining Zhang

    Columbia University

  Authors

  • Ruining Zhang

    Columbia University

  • Chris A Marianetti

    Columbia University

  • Zhengqian Cheng

    Columbia University

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• Phase stability of Fe-Cr alloys in the high temperature paramagnetic phase using Atomistic Spin Dynamics-ab initio Molecular Dynamics (ASD-AIMD)

  ORAL

  March 18, 2025, 7:12 PM – March 18, 2025, 7:24 PM

  Presenters

  • Joakim Stenborg

    Linköping University

  Authors

  • Joakim Stenborg

    Linköping University

  • Davide Gambino

    Linkoping University

  • Igor A. Abrikosov

    Linkoping University, Linköping University

  • Björn Alling

    Linköping Univerity, Linköping University

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• High-fidelity electronic structure calculations for non-crystalline solids

  ORAL

  March 18, 2025, 7:24 PM – March 18, 2025, 7:36 PM

  Publication: High-fidelity electronic structure calculations for non-crystalline solids, M. Jankousky, D. Pashov, M.Thodika, R.E. Larsen, M. van Schilfgaarde, V. Stevanovic, in preparation, 2025

  Presenters

  • Matthew Charles Jankousky

    Colorado School of Mines

  Authors

  • Matthew Charles Jankousky

    Colorado School of Mines

  • Dimitar Pashov

    King's College London, King's College London, The Strand, London WC2R2LS, UK

  • Mushir Thodika

    National Renewable Energy Laboratory

  • Ross Larsen

    National Renewable Energy Laboratory (NREL)

  • Mark van Schilfgaarde

    National Renewable Energy Laboratory (NREL)

  • Vladan Stevanovic

    Colorado School of Mines

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• Recursive algorithm for generating high-temperature expansions for spin systems and the chiral non-linear susceptibility

  ORAL

  March 18, 2025, 7:36 PM – March 18, 2025, 7:48 PM

  Publication: Phys. Rev. B 110, 144416 (2024)

  Presenters

  • Peter Kopietz

    Goethe Universität Frankfurt

  Authors

  • Peter Kopietz

    Goethe Universität Frankfurt

  • Andreas Rückriegel

    Goethe University Frankfurt, Goethe Universität Frankfurt

  • Dmytro Tarasevych

    Goethe University Frankfurt, Goethe-Universität Frankfurt

  • Jan Krieg

    Goethe-Universität Frankfurt

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• Disorder Enhanced Thermalization in Interacting Many-Particle System

  ORAL

  March 18, 2025, 7:48 PM – March 18, 2025, 8:00 PM

  Publication: https://arxiv.org/pdf/2405.13876

  Presenters

  • Chakradhar Rangi

    Louisiana State University

  Authors

  • Chakradhar Rangi

    Louisiana State University

  • Herbert F Fotso

    State Univ of NY - Buffalo

  • Hanna Terletska

    Middle Tennessee State University

  • Juana Moreno

    Louisiana State University

  • Ka-Ming Tam

    Louisiana State University

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• Abstract Withdrawn

  ORAL Withdrawn

  March 18, 2025, 8:00 PM – March 18, 2025, 8:12 PM

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• Influence of Cr Intercalation on Magnetism in Cr_1+δTe₂: First-principles Calculations and Atomistic simulations

  ORAL

  March 18, 2025, 8:12 PM – March 18, 2025, 8:24 PM

  Presenters

  • Jeonghoon Hong

    Indiana University Bloomington

  Authors

  • Jeonghoon Hong

    Indiana University Bloomington

  • Bharadwaj Peela

    Rice University

  • Alexandru Bogdan Georgescu

    Indiana University Bloomington

  • Herbert A Fertig

    Indiana Univ - Bloomington, Indiana University Bloomington

  • Hanyu Zhu

    Rice University

  • Shixiong Zhang

    Indiana University Bloomington

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• Leveraging recurrence in neural network wave functions for large-scale simulations of Heisenberg antiferromagnets

  ORAL

  March 18, 2025, 8:24 PM – March 18, 2025, 8:36 PM

  Publication: Leveraging recurrence in neural network wave functions for large-scale simulations of Heisenberg antiferromagnets (planned paper)

  Presenters

  • Megan Schuyler Moss

    University of Waterloo, Perimeter Institute

  Authors

  • Megan Schuyler Moss

    University of Waterloo, Perimeter Institute

  • Roeland Cornelis Wiersema

    Flatiron Institute

  • Mohamed Hibat-Allah

    University of Waterloo

  • Juan Carrasquilla

    ETH Zurich, ETH Zürich

  • Roger G Melko

    University of Waterloo, University of Waterloo, Perimeter Institute

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