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Tinker-HP: a Massively Parallel Molecular Dynamics Package for Multiscale Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields
Lagardère, Louis ; Jolly, Luc-Henri ; Lipparini, Filippo ; Aviat, Félix ; Stamm, BenjaminRWTH* ; Jing, Zhifeng F. ; Harger, Matthew ; Torabifard, Hedieh ; Cisneros, Andrés G. ; Schnieders, Michael J. ; Gresh, Nohad ; Maday, Yvon ; Ren, Pengyu Y. ; Ponder, Jay W. ; Piquemal, Jean-Philip (Corresponding author)
In
Chemical Science 9(4), Seiten/Artikel-Nr.:956-972
2018 & 2017
ImpressumCambridge : Royal Society of Chemistry
ISSN2041-6539
The article was received on 18 Oct 2017, accepted on 24 Nov 2017 and first published on 27 Nov 2017
Online
DOI: 10.18154/RWTH-CONV-220060
DOI: 10.1039/C7SC04531J
10.1039/C7SC04531J
URL: http://publications.rwth-aachen.de/record/710156/files/710156.pdf
Einrichtungen
- Lehr- und Forschungsgebiet Mathematik, insb. Computational Mathematics (115120)
- Fachgruppe Mathematik (110000)
OpenAccess:
PDF
Dokumenttyp
Journal Article
Format
online
Sprache
English
Anmerkung
Peer reviewed article
Externe Identnummern
WOS Core Collection: WOS:000423401400018
PubMed: pmid:29732110
SCOPUS: SCOPUS:2-s2.0-85041178098
Interne Identnummern
RWTH-CONV-220060
Datensatz-ID: 710156
Beteiligte Länder
France, Germany, Italy, USA


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