Density Functional Theory VII: Excited States, Thermal and Ensemble DFT, and Superconductivity

Presentations

• Nonlocal and Nonadiabatic Orbital-Free TDDFT

  ORAL · Invited

  March 21, 2025, 2:30 PM – March 21, 2025, 3:06 PM

  Publication: K. Jiang, M. Pavanello, Phys. Rev. B 103, 245102 (2021)<br>K. Jiang, X. Shao, M. Pavanello, Phys. Rev. B 104, 235110 (2021)<br>K. Jiang, X. Shao, M. Pavanello, Phys. Rev. B 106, 115153 (2022)

  Presenters

  • Michele Pavanello

    Rutgers University - Newark

  Authors

  • Michele Pavanello

    Rutgers University - Newark

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• Hydrogen-rich superconductors: efficient estimations of T_c from electronic properties

  ORAL

  March 21, 2025, 3:06 PM – March 21, 2025, 3:18 PM

  Publication: F. Belli, T. Novoa, J. Contreras-García, and I. Errea. Strong correlation between electronic bonding network and critical temperature in hydrogen-based superconductors. Nat Commun 12, 5381 (2021). <br>M.E. di Mauro, B. Braïda, I. Errea, T. Novoa, and J. Contreras-García. Molecularity: a fast and efficient criterion for probing superconductivity. arXiv:2403.07584 (2024). (submitted)<br>T. Novoa, M.E. di Mauro, D. Inostroza, K. El Haloui, N. Sisourat, Y. Maday, and J. Contreras-García. TcESTIME: predicting high-temperature hydrogen-based superconductors (2024) (submitted)

  Presenters

  • Trinidad Novoa

    University of the Basque Country

  Authors

  • Trinidad Novoa

    University of the Basque Country

  • Julia Contreras Garcia

    Sorbonne Université, Sorbonne-Universite

  • Ion Errea

    University of the Basque Country UPV/EHU

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• Time-Dependent Orbital-Free Density Functional Theory

  ORAL

  March 21, 2025, 3:18 PM – March 21, 2025, 3:30 PM

  Presenters

  • Xu Zhang

    California State University, Northridge

  Authors

  • Xu Zhang

    California State University, Northridge

  • Chen Huang

    Florida State University

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• Abstract Withdrawn

  ORAL Withdrawn

  March 21, 2025, 3:30 PM – March 21, 2025, 3:42 PM

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• Response-Reformulated TDDFT: An Approach to Strong Field Dynamics With Adiabatic Functionals

  ORAL

  March 21, 2025, 3:42 PM – March 21, 2025, 3:54 PM

  Publication: Physical Review Letters 133 (9), 096401 (2024)

  Presenters

  • DAVOOD B. DAR

    Rutgers University

  Authors

  • DAVOOD B. DAR

    Rutgers University

  • Neepa T Maitra

    Rutgers University - Newark

  • Anna Baranova

    Rutgers University-Newark, Rutgers University - Newark

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• Time-dependent density functional theory with the orthogonal projector augmented wave method

  ORAL

  March 21, 2025, 3:54 PM – March 21, 2025, 4:06 PM

  Publication: Minh Nguyen, Tim Duong, Daniel Neuhauser; Time-dependent density functional theory with the orthogonal projector augmented wave method. J. Chem. Phys. 14 April 2024; 160 (14): 144101. https://doi.org/10.1063/5.0193343

  Presenters

  • Minh Nguyen

    Sandia National Laboratories

  Authors

  • Minh Nguyen

    Sandia National Laboratories

  • Daniel Neuhauser

    UCLA

  • Tim Duong

    UCLA

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• Finite-temperature generalized Kohn-Sham theory

  ORAL

  March 21, 2025, 4:06 PM – March 21, 2025, 4:18 PM

  Presenters

  • Brittany Penelope Harding

    University of California, Merced

  Authors

  • Brittany Penelope Harding

    University of California, Merced

  • Francisca Sagredo

    Lawrence Berkeley Laboratory

  • Aurora Pribram-Jones

    University of California, Merced

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• Abstract Withdrawn

  ORAL Withdrawn

  March 21, 2025, 4:18 PM – March 21, 2025, 4:30 PM

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• Assessing the suitability of temperature-dependent coefficients in zero-temperature models for the strong interaction limit

  ORAL

  March 21, 2025, 4:30 PM – March 21, 2025, 4:42 PM

  Presenters

  • Sage Gorney

    University of California, Merced

  Authors

  • Sage Gorney

    University of California, Merced

  • Brittany Penelope Harding

    University of California, Merced

  • Vincent Martinetto

    University of California, Merced

  • Aurora Pribram-Jones

    University of California, Merced

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• Calculations of Spin Fluctuation Spectral Functions in High-Temperature Superconducting Cuprates

  ORAL

  March 21, 2025, 4:42 PM – March 21, 2025, 4:54 PM

  Presenters

  • Griffin Heier

    University of California, Davis

  Authors

  • Griffin Heier

    University of California, Davis

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• Electron-phonon interaction and superconductivity of potassium-intercalated hexagonal boron nitride

  ORAL

  March 21, 2025, 4:54 PM – March 21, 2025, 5:06 PM

  Presenters

  • Lev Krainov

    Pennsylvania State University

  Authors

  • Lev Krainov

    Pennsylvania State University

  • Vincent H Crespi

    Pennsylvania State University, The Pennsylvania State University

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