Quantum computing in pharma: A multilayer embedding approach for near future applications.
drugs
embedding
enzymes
photochemistry
quantum computers
Journal
Journal of computational chemistry
ISSN: 1096-987X
Titre abrégé: J Comput Chem
Pays: United States
ID NLM: 9878362
Informations de publication
Date de publication:
30 01 2023
30 01 2023
Historique:
revised:
09
06
2022
received:
04
02
2022
accepted:
10
06
2022
pubmed:
6
7
2022
medline:
3
1
2023
entrez:
5
7
2022
Statut:
ppublish
Résumé
Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treating a moderate number of orbitals within an active space in a fully quantum mechanical manner. We present a quantum phase estimation calculation on F
Substances chimiques
Pharmaceutical Preparations
0
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
406-421Informations de copyright
© 2022 Wiley Periodicals LLC.
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