Towards Discovery in Chemistry with Quantum Computers III

Presentations

• Exploiting non-orthogonality in quantum algorithms for calculations of molecular electronic states

  ORAL · Invited

  March 15, 2022, 9:00 AM – March 15, 2022, 9:36 AM

  Presenters

  • Birgitta Whaley

    University of California, Berkeley

  Authors

  • Birgitta Whaley

    University of California, Berkeley

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• State preparation and evolution in quantum computing: a perspective from Hamiltonian moments.

  ORAL

  March 15, 2022, 9:36 AM – March 15, 2022, 9:48 AM

  Publication: arXiv:2109.12790

  Presenters

  • Bo Peng

    Pacific Northwest National Laboratory

  Authors

  • Bo Peng

    Pacific Northwest National Laboratory

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• Fast state preparation for molecular simulation by direct pulse optimization: ctrl-VQE

  ORAL

  March 15, 2022, 9:48 AM – March 15, 2022, 10:00 AM

  Publication: 10.1038/s41534-021-00493-0

  Presenters

  • Nicholas Mayhall

    Virginia Tech

  Authors

  • Nicholas Mayhall

    Virginia Tech

  • Oinam R Meitei

    Virginia Tech

  • David Pappas

    National Institute of Standards and Technology Boulder, Rigetti Computing

  • Bryan T Gard

    Virginia Tech

  • George S Barron

    Virginia Tech

  • Edwin Barnes

    Virginia Tech

  • Sophia E Economou

    Virginia Tech

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• Leakage reduces device coherence demands for molecular simulations with pulse-level VQE

  ORAL

  March 15, 2022, 10:00 AM – March 15, 2022, 10:12 AM

  Presenters

  • Ayush Asthana

    Virginia Tech

  Authors

  • Ayush Asthana

    Virginia Tech

  • Sophia Economou

    Virginia Tech

  • Edwin Barnes

    Virginia Tech

  • Nicholas Mayhall

    Virginia Tech

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• Dynamical Quantum Algorithms For Chemistry and Materials

  ORAL · Invited

  March 15, 2022, 10:12 AM – March 15, 2022, 10:48 AM

  Presenters

  • Nathan Fitzpatrick

    Cambridge Quantum Computing

  Authors

  • Nathan Fitzpatrick

    Cambridge Quantum Computing

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• Multiscale Electronic Structure Calculations via Projection Based Quantum Embedding

  ORAL

  March 15, 2022, 10:48 AM – March 15, 2022, 11:00 AM

  Presenters

  • Alexis P Ralli

    University College London

  Authors

  • Alexis P Ralli

    University College London

  • Peter V Coveney

    University College London, University of Amsterdam

  • Michael Williams

    University College London

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• Symmetry-adapted factorized unitary coupled cluster ansatz for quantum computer

  ORAL

  March 15, 2022, 11:00 AM – March 15, 2022, 11:12 AM

  Presenters

  • Avijit Shee

    University of Michigan

  Authors

  • Avijit Shee

    University of Michigan

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• Unitary Selective Coupled Cluster Method

  ORAL

  March 15, 2022, 11:12 AM – March 15, 2022, 11:24 AM

  Presenters

  • Dmitry A Fedorov

    Argonne National Laboratory, Oak Ridge Associated Universities

  Authors

  • Dmitry A Fedorov

    Argonne National Laboratory, Oak Ridge Associated Universities

  • Yuri Alexeev

    Argonne National Laboratory

  • Stephen K Gray

    Argonne National Laboratory

  • Matthew Otten

    HRL Laboratories, LLC

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• DMRG-based methods for large-scale applications in strongly correlated quantum chemistry

  ORAL · Invited

  March 15, 2022, 11:24 AM – March 15, 2022, 12:00 PM

  Publication: J.Brabec, J.Brandejs, Ö.Legeza, K.Kowalski, S.Xanteas, L.Veis, J.Comp.Chem. 42, 534 (2021).
  L. Veis, A. Antalík, J. Brabec, F. Neese, Ö. Legeza, J. Pittner, J. Phys. Chem. Lett. 7, 4072 (2016).
  P. Beram, M. Matousek, M. Hapka, K. Pernal, L. Veis, J. Chem. Theory Comput. (2021), arXiv:2108.12803.
  N. P. Bauman, J. Chládek, L. Veis, J. Pittner, K. Kowalski, Quantum Sci. Technol. 6, 034008 (2021).

  Presenters

  • Libor Veis

    J. Heyrovský Institute of Physical Chemistry, Czech Republic

  Authors

  • Libor Veis

    J. Heyrovský Institute of Physical Chemistry, Czech Republic

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