Computational Design, Understanding and Discovery of Novel Materials III

FOCUS · F60 · ID: 2155788

Presentations

  • ORAL · Invited

    –

    Publication: Sicong Jiang and Kesong Yang*, High-throughput Design of Perpendicular Magnetic Anisotropy at Quaternary Heusler and MgO Interfaces, npj Computational Materials, 9, 123, (2023).
    Sheron Tavares, Kesong Yang, and Marc Meyers, Heusler Alloys: Past, Properties, Search for New Alloys, and Prospects, Progress in Materials Science, 132, 101017, (2023).
    Sicong Jiang, Safdar Nazir, and Kesong Yang*, High-throughput Design of Interfacial Perpendicular Magnetic Anisotropy at Heusler/MgO Heterostructures, ACS Appl. Mater. Interfaces, 14, 9734-9743, (2022).

    Presenters

    • Kesong Yang

      • University of California, San Diego

    Authors

    • Kesong Yang

      • University of California, San Diego

    View abstract →

  • ORAL

    –

    Publication: J. Am. Chem. Soc. 2023, 145, 32, 18029–18035 (DOI: https://doi.org/10.1021/jacs.3c05754)

    Presenters

    • Saif Ullah

      • Wake Forest University

    Authors

    • Saif Ullah

      • Wake Forest University

    • Stephanie Jensen

      • Wake Forest University

    • Yanyao Liu

      • Rutgers University

    • Kui Tan

      • University of North Texas

    • Hannah Drake

      • Texas A&M University

    • Guoyu Zhang

      • Rutgers University

    • Junjie Huang

      • Texas A&M University

    • Jiri Klimes

      • Charles University

    • Darren Driscoll

      • Oak Ridge

    • Raphael P Hermann

      • Oak Ridge National Laboratory
      • Oak Ridge National Lab
      • Oak Ridge

    • Hong-Cai Zhou

      • Texas A&M University

    • Jing Li

      • Rutgers University

    • Timo Thonhauser

      • Wake Forest University

    View abstract →

  • ORAL

    –

    Presenters

    • Fatemeh Haddadi

      • Ecole polytechnique federale de lausanne

    Authors

    • Fatemeh Haddadi

      • Ecole polytechnique federale de lausanne

    • Louis Ponet

      • Ecole Polytechnique Federale de Lausane

    • Davide Campi

      • University of Milano-Bicocca
      • Universita' di Milano-Bicocca

    • Marco Gibertini

      • University of Modena & Reggio Emilia

    • Nicola Marzari

      • Ecole Polytechnique Federale de Lausanne
      • THEOS, EPFL; NCCR MARVEL; LSM Paul Scherrer Insitut
      • EPFL
      • THEOS, EPFL; NCCR, MARVEL; LMS, Paul Scherrer Institut

    View abstract →

  • ORAL

    –

    Publication: Manuscript submitted for peer-review.

    Presenters

    • Timothy Liao

      • University of Texas at Austin

    Authors

    • Timothy Liao

      • University of Texas at Austin

    • Weiyi Xia

      • Ames National Laboratory

    • Masahiro Sakurai

      • University of Tokyo

    • Renhai Wang

      • Guangdong University of Technology

    • Chao Zhang

      • Yantai University

    • Huaijun Sun

      • Zhejiang Agriculture and Forestry University

    • Kai-Ming Ho

      • Iowa State University

    • Cai-Zhuang Wang

      • Ames National Laboratory
      • Iowa State University

    • James R Chelikowsky

      • University of Texas at Austin

    View abstract →

  • ORAL

    –

    Presenters

    • Marnik Bercx

      • Paul Scherrer Institute

    Authors

    • Marnik Bercx

      • Paul Scherrer Institute

    • Samuel Poncé

      • UCLouvain
      • UCLouvain; WEL Research Institute
      • European Theoretical Spectroscopy Facility, Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium

    • Junfeng Qiao

      • Ecole Polytechnique Federale de Lausanne
      • École Polytechnique Fédérale de Lausanne (EPFL)

    • Yiming Zhang

      • UCLouvain

    • Giovanni Pizzi

      • Paul Scherrer Institut (PSI)
      • Paul Scherrer Institute

    • Nicola Marzari

      • Ecole Polytechnique Federale de Lausanne
      • THEOS, EPFL; NCCR MARVEL; LSM Paul Scherrer Insitut
      • EPFL
      • THEOS, EPFL; NCCR, MARVEL; LMS, Paul Scherrer Institut

    View abstract →

  • ORAL

    –

    Presenters

    • Christopher Renskers

      • Binghamton University - SUNY

    Authors

    • Christopher Renskers

      • Binghamton University - SUNY

    • Roxana Margine

      • Binghamton University

    • Wojciech Grochala

      • University of Warsaw, Center of New Technologies

    • Piotr Szkudlarek

      • University of Warsaw, Center of New Technologies

    View abstract →

  • ORAL

    –

    Publication: This work will be submitted for publication soon (Nov. 2023).

    Presenters

    • Charlsey Tomassetti

      • Binghamton University

    Authors

    • Charlsey Tomassetti

      • Binghamton University

    • Gyanu P Kafle

      • Binghamton University

    • Edan Marcial

      • Binghamton University

    • Igor I Mazin

      • George Mason University
      • Department of Physics and Astronomy, George Mason University; Quantum Science and Engineering Centre, George Mason University

    • Elena R Margine

      • Binghamton University

    • Aleksey Kolmogorov

      • Binghamton University

    View abstract →

  • ORAL

    –

    Publication: Inverse Design of Next-Generation Superconductors Using Data-Driven Deep Generative Models, Daniel Wines, Tian Xie, Kamal Choudhary, J. Phys. Chem. Lett. 2023, 14, 29, 6630–6638

    Data-driven Study of High Pressure Hydride Superconductors using DFT and Deep Learning, Daniel Wines, Kamal Choudhary (in preparation)

    Presenters

    • Daniel Wines

      • National Institute of Standards and Technology (NIST)

    Authors

    • Daniel Wines

      • National Institute of Standards and Technology (NIST)

    • Kamal Choudhary

      • National Institute of Standards and Tech

    View abstract →