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CP2K
CP2K is a freely available (GPL) program, written in Fortran 2003, to perform atomistic and molecular simulations of solid state, liquid, molecular…
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Abalone
Ascalaph Designer
Austin Model 1
Car–Parrinello molecular dynamics
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2016
2016
Computational Modelling of Oxygen Defects and Interfaces in Monoclinic HfO2
S. Bradley
2016
Corpus ID: 99888572
Hafnia (HfO2) is of particular interest for microelectronics applications. It is currently used as a high-k insulating dielectric…
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2016
2016
A STUDY OF FULLERENE, PORPHYRIN AND THEIR DYAD ON GRAPHENE
Navin Kafle
2016
Corpus ID: 136392556
Molecular devices employing hybrids of graphene, acting as electron acceptor, with C60 and porphyrin, acting as electron donors…
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2015
2015
5. Syntactic and prosodic integration and disintegration in peripheral adverbial clauses and in right dislocation/afterthought
W. Frey
,
H. Truckenbrodt
2015
Corpus ID: 124290662
In this paper we bring together two lines of research. This is the work on peripheral adverbial clauses (PACs) by Frey (2011…
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2012
2012
HPPC-Hierarchical Petri-Net based Privacy nominal model approach for Cloud
D. Chandramohan
,
T. Vengattaraman
,
P. Dhavachelvan
IEEE India Conference
2012
Corpus ID: 34242210
This paper focusing on the data collected ubiquitously and conserved by cloud providers are assured that, the clients and users…
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2012
2012
CP2K – Scalable Atomistic Simulation for the PRACE Community
Iain Bethune
,
Adam Carter
,
Kevin Stratford
,
P. Korosoglou
2012
Corpus ID: 60474130
This report describes the work undertaken under PRACE-1IP to support the European scientific communities who make use of CP2K in…
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2010
2010
Improving the Performance of CP2K on the Cray XT
I. Bethune
2010
Corpus ID: 60804944
CP2K is a freely available and increasingly popular Density Functional Theory code for the simulation of a wide range of systems…
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2009
2009
In-situ synthesis and thermal-electrical properties of CP2- polyimide/pristine and amine-functionalized carbon nanofiber composites
David H. Wang
,
J. Jacobs
,
+4 authors
Loon-Seng Tan
International Conference on Smart Materials and…
2009
Corpus ID: 135797207
Vapor-grown carbon nanofibers (VGCNF) functionalized with amine-containing pendants, viz.H2N-VGCNF, reacted with 2,2-bis(phthalic…
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2007
2007
UCRL-JRNL-227048 X-ray scattering intensities of water at extreme pressure and temperature
N. Goldman
,
L. Fried
,
January
2007
Corpus ID: 85453410
We have calculated the coherent x-ray scattering intensity of several phases of water at 1500 and 2000 K under high pressure…
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2007
2007
On the Stability Region of Linear-Memory Scheduling for Time Varying Channels
Mahdi Lotfinezhad
,
B. Liang
,
E. Sousa
Fifteenth IEEE International Workshop on Quality…
2007
Corpus ID: 18935202
Throughput optimal scheduling policies in general require the solution of a complex optimization problem. The past literature has…
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2005
2005
Proton survivability measurements for candidate solar sail materials
W. Hollerman
,
N. Bergeron
,
R.J. Moore
IEEE Nuclear Science Symposium Conference Record
2005
Corpus ID: 13634195
Once thought to be difficult or impossible, solar sailing has come out of science fiction and into the realm of possibility. A…
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