DCOMP Award Symposium

Presentations

• Rahman Prize (2022): The universal language of quantum simulations

  ORAL · Invited

  March 15, 2022, 12:30 PM – March 15, 2022, 1:06 PM

  Presenters

  • Giulia Galli

    University of Chicago, University of Chicago and Argonne National Laboratory

  Authors

  • Giulia Galli

    University of Chicago, University of Chicago and Argonne National Laboratory

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• Nicholas Metropolis Award for Outstanding Doctoral Thesis Work in Computational Physics (2022): Surface processes in ion-irradiated materials from first principles

  ORAL · Invited

  March 15, 2022, 1:06 PM – March 15, 2022, 1:42 PM

  Publication: Kononov et al., in preparation<br>Kononov and Schleife, Nano Letters 21, 2021<br>Vázquez et al., Physical Review B 103, 2021<br>Kononov and Schleife, Physical Review B 102, 2020<br>Kang et al., Computational Materials Science 160, 2019

  Presenters

  • Alina Kononov

    Sandia National Laboratories, Sandia National Lab

  Authors

  • Alina Kononov

    Sandia National Laboratories, Sandia National Lab

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• Electronic response to high-velocity nuclei through matter from first principles

  ORAL · Invited

  March 15, 2022, 1:42 PM – March 15, 2022, 2:18 PM

  Presenters

  • Emilio Artacho

    U. Cambridge, Ikerbasque, Nanogune, DIPC, Univ of Cambridge

  Authors

  • Emilio Artacho

    U. Cambridge, Ikerbasque, Nanogune, DIPC, Univ of Cambridge

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• Phase diagram, metallization, black and shiny reflections of Hydrogen in the 3-7 Mbar range by quantum Monte-Carlo with anharmonic zero-point fluctuations

  ORAL · Invited

  March 15, 2022, 2:18 PM – March 15, 2022, 2:54 PM

  Publication: L. Monacelli, M. Casula, K. Nakno, S. Sorella, F. Mauri, to be published.<br>L. Monacelli, I. Errea, M. Calandra, F. Mauri, Nat. Phys. 15, 1246–1249 (2019)

  Presenters

  • Francesco Mauri

    Dipartimento di Fisica, Università di Roma La Sapienza, Roma, Italy, Dipartimento di Fisica, Università di Roma Sapienza, Piazzale Aldo Moro 5, I-00185 Roma, Italy, Univ of Rome La Sapienza

  Authors

  • Francesco Mauri

    Dipartimento di Fisica, Università di Roma La Sapienza, Roma, Italy, Dipartimento di Fisica, Università di Roma Sapienza, Piazzale Aldo Moro 5, I-00185 Roma, Italy, Univ of Rome La Sapienza

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• First-Principles Simulations of Heterogeneous Interfaces for the Water-Energy Nexus

  ORAL · Invited

  March 15, 2022, 2:54 PM – March 15, 2022, 3:30 PM

  Presenters

  • Anh Pham

    Oak Ridge National Lab, Lawrence Livermore National Lab

  Authors

  • Anh Pham

    Oak Ridge National Lab, Lawrence Livermore National Lab

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