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Car-Parrinello molecular dynamics on massively parallel computers.
scientific article published in September 2005
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1 reference
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Europe PubMed Central
PubMed publication ID
16086346
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16086346%20AND%20SRC:MED&resulttype=core&format=json
retrieved
5 January 2020
title
Car-Parrinello molecular dynamics on massively parallel computers
(English)
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16086346
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16086346%20AND%20SRC:MED&resulttype=core&format=json
retrieved
5 January 2020
author
Juerg Hutter
series ordinal
1
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16086346
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16086346%20AND%20SRC:MED&resulttype=core&format=json
retrieved
5 January 2020
author name string
Alessandro Curioni
series ordinal
2
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16086346
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16086346%20AND%20SRC:MED&resulttype=core&format=json
retrieved
5 January 2020
publication date
1 September 2005
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16086346
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16086346%20AND%20SRC:MED&resulttype=core&format=json
retrieved
5 January 2020
published in
ChemPhysChem
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16086346
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16086346%20AND%20SRC:MED&resulttype=core&format=json
retrieved
5 January 2020
volume
6
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16086346
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16086346%20AND%20SRC:MED&resulttype=core&format=json
retrieved
5 January 2020
issue
9
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16086346
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16086346%20AND%20SRC:MED&resulttype=core&format=json
retrieved
5 January 2020
page(s)
1788-1793
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16086346
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16086346%20AND%20SRC:MED&resulttype=core&format=json
retrieved
5 January 2020
cites work
Unified Approach for Molecular Dynamics and Density-Functional Theory
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200500059
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Ab initiomolecular dynamics: Propagating the density matrix with Gaussian orbitals
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200500059
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Curvy-steps approach to constraint-free extended-Lagrangian ab initio molecular dynamics, using atom-centered basis functions: convergence toward Born-Oppenheimer trajectories
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200500059
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200500059
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Ab InitioMolecular Dynamics with Excited Electrons
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200500059
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200500059
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7 January 2021
based on heuristic
inferred from DOI database lookup
Theory of polarization of crystalline solids
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200500059
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7 January 2021
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Solvent effects on electronic properties from Wannier functions in a dimethyl sulfoxide/water mixture.
1 reference
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https://api.crossref.org/works/10.1002%2FCPHC.200500059
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7 January 2021
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Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers
1 reference
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https://api.crossref.org/works/10.1002%2FCPHC.200500059
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7 January 2021
based on heuristic
inferred from DOI database lookup
Electronic structure of wet DNA.
1 reference
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reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200500059
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7 January 2021
based on heuristic
inferred from DOI database lookup
Density-functional exchange-energy approximation with correct asymptotic behavior
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200500059
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7 January 2021
based on heuristic
inferred from DOI database lookup
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200500059
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7 January 2021
based on heuristic
inferred from DOI database lookup
Generalized Gradient Approximation Made Simple
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCPHC.200500059
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Identifiers
DOI
10.1002/CPHC.200500059
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16086346
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16086346%20AND%20SRC:MED&resulttype=core&format=json
retrieved
5 January 2020
PubMed publication ID
16086346
1 reference
stated in
Europe PubMed Central
PubMed publication ID
16086346
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16086346%20AND%20SRC:MED&resulttype=core&format=json
retrieved
5 January 2020
ResearchGate publication ID
7674562
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