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, 8:00 AM – March 15, 2022, 8:36 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, 8:36 AM – March 15, 2022, 8:48 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, 8:48 AM – March 15, 2022, 9:00 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, 9:00 AM – March 15, 2022, 9:12 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, 9:12 AM – March 15, 2022, 9:48 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, 9:48 AM – March 15, 2022, 10:00 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, 10:00 AM – March 15, 2022, 10:12 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, 10:12 AM – March 15, 2022, 10:24 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, 10:24 AM – March 15, 2022, 11:00 AM

  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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