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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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Related topics
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22 relations
Abalone
Ascalaph Designer
Austin Model 1
Car–Parrinello molecular dynamics
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Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2019
2019
DBCSR: A Blocked Sparse Tensor Algebra Library
I. Sivkov
,
Patrick Seewald
,
A. Lazzaro
,
Juerg Hutter
International Conference on Parallel Computing
2019
Corpus ID: 204972719
Advanced algorithms for large-scale electronic structure calculations are mostly based on processing multi-dimensional sparse…
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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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2015
2015
A Multicore Tool for Constraint Solving
R. Amadini
,
M. Gabbrielli
,
J. Mauro
International Joint Conference on Artificial…
2015
Corpus ID: 18679915
In Constraint Programming (CP), a portfolio solver uses a variety of different solvers for solving a given Constraint…
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2014
2014
CP2K Performance from Cray XT3 to XC30
I. Bethune
,
Fiona Reid
,
A. Lazzaro
2014
Corpus ID: 60846231
CP2K is a powerful open-source program for atomistic simulation using a range of methods including Classical potentials, Density…
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Highly Cited
2012
Highly Cited
2012
Supersymmetric M5 brane theories on R × CP2
Hee-Cheol Kim
,
Kimyeong Lee
2012
Corpus ID: 118474061
A bstractWe propose 4 and 12 supersymmetric conformal Yang-Mills-Chern-Simons theories on R × CP2 as multiple representations of…
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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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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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2007
2007
Science gateways to DEISA: user requirements, technologies, and the material sciences and plasma physics gateway
T. Soddemann
Concurrency and Computation
2007
Corpus ID: 5129801
DEISA (Distributed European Infrastructure for Supercomputer Applications) is collecting experience with science gateways in…
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2004
2004
Toward a Monte Carlo program for simulating vapor-liquid phase equilibria from first principles
M. McGrath
,
J. Siepmann
,
+7 authors
M. Parrinello
Computer Physics Communications
2004
Corpus ID: 17103906
1979
1979
The homology 3-spheres with involutions
W. Hsiang
,
P. Pao
1979
Corpus ID: 120973347
Let I be a homology 3-sphere which supports an orientation reversing involution. Then ,u(:) = 0. In this paper we study the…
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