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Acceleration of Semiempirical Electronic Structure Theory Calculations on Consumer-Grade GPUs Using Mixed-Precision Density Matrix Purification

;

In
Journal of chemical theory and computation : JCTC 21(15), Seiten/Artikel-Nr.:7335-7351

ImpressumWashington, DC : [Verlag nicht ermittelbar]

ISSN1549-9626

Online
DOI: 10.1021/acs.jctc.5c00262


Einrichtungen

  1. Fachgruppe Chemie (150000)
  2. Institut für Physikalische Chemie (153005)
  3. Juniorprofessur für Theoretische Physikalische Chemie großer Moleküle (157230)


Thematische Einordnung (Klassifikation)
DDC: 610


Dokumenttyp
Journal Article

Format
online, print

Sprache
English

Anmerkung
Peer reviewed article

Externe Identnummern
SCOPUS: SCOPUS:2-s2.0-105013270950
WOS Core Collection: WOS:001529528500001
PubMed: pmid:40662608

Interne Identnummern
RWTH-2025-06800
Datensatz-ID: 1016190

Beteiligte Länder
Germany

Lizenzstatus der Zeitschrift

 GO

Medline ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection
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The record appears in these collections:
Document types > Articles > Journal Articles
Faculty of Mathematics and Natural Sciences (Fac.1) > Department of Chemistry
Public records
Publications database
153005
150000
157230
 Record created 2025-08-12, last modified 2025-10-09
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