Electric Field Gradient Calculations for Ice VIII and IX Using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators-Reference-Cited by-同舟云学术

Electric Field Gradient Calculations for Ice VIII and IX Using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators

Published:2024-07-18 Issue:30 Volume:128 Page:6305-6315
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Nagy Dániel¹,Reinholdt Peter²^ORCID,Jensen Phillip W. K.¹^ORCID,Kjellgren Erik Rosendahl²,Ziems Karl Michael³,Fitzpatrick Aaron⁴^ORCID,Knecht Stefan⁴⁵^ORCID,Kongsted Jacob²^ORCID,Coriani Sonia³^ORCID,Sauer Stephan P. A.¹^ORCID

Affiliation:

1. Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen Ø, Denmark

2. Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, DK-5230 Odense, Denmark

3. Department of Chemistry, Technical University of Denmark, Kemitorvet Building 207, DK-2800 Kongens Lyngby, Denmark

4. Algorithmiq Ltd, Kanavakatu 3C, FI-00160 Helsinki, Finland

5. Department of Chemistry and Applied Life Sciences, ETH Zürich, Vladimir-Prelog-Weg 1-5/10, CH-8093 Zürich, Switzerland

Funder

Novo Nordisk Fonden

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c02697

Reference47 articles.

1. Quantum Chemistry in the Age of Quantum Computing

2. Quantum Algorithms for Quantum Chemistry and Quantum Materials Science

3. Elfving, V. E.; Broer, B. W.; Webber, M.; Gavartin, J.; Halls, M. D.; Lorton, K. P.; Bochevarov, A. How will quantum computers provide an industrially relevant computational advantage in quantum chemistry? arXiv (Quantum Physics), September 25, 2020, 2009.12472, ver. 1. https://arxiv.org/abs/2009.12472 (accessed 2024-04-24).

4. Quantum computational chemistry

5. Emerging quantum computing algorithms for quantum chemistry