Quantum algorithm for alchemical optimization in material design-Reference-Cited by-同舟云学术

Quantum algorithm for alchemical optimization in material design

Published:2021 Issue:12 Volume:12 Page:4345-4352
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Barkoutsos Panagiotis Kl.¹²³⁴,Gkritsis Fotios¹²³⁴⁵,Ollitrault Pauline J.¹²³⁴⁶,Sokolov Igor O.¹²³⁴⁷^ORCID,Woerner Stefan¹²³⁴,Tavernelli Ivano¹²³⁴^ORCID

Affiliation:

1. IBM Quantum

2. IBM Research – Zurich

3. 8803 Rüschlikon

4. Switzerland

5. King's College London

6. Laboratory of Physical Chemistry

7. Department of Chemistry

Abstract

‘Alchemical’ quantum algorithm for the simultaneous optimisation of chemical composition and electronic structure for material design. By exploiting quantum mechanical principles this approach will boost drug discovery in the near future.

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/SC/D0SC05718E

Reference39 articles.

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