Center for Computational Physics

24(top 2%)

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Top Articles

#	Title	Journal	Year	Citations
1	Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems	Physical Chemistry Chemical Physics	2015	376
2	Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations	Physical Review B	2014	138
3	Energy and pressure versus volume: Equations of state motivated by the stabilized jellium model	Physical Review B	2001	132
4	Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory	Physical Review B	2013	125
5	Dermacozines, a new phenazine family from deep-sea dermacocci isolated from a Mariana Trench sediment	Organic and Biomolecular Chemistry	2010	123
6	Highly damped quasinormal modes of Kerr black holes: A complete numerical investigation	Physical Review D	2004	78
7	Density-functional versus wave-function methods: Toward a benchmark for the jellium surface energy	Physical Review B	2000	40
8	Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays	Physical Review A	2014	29
9	Optical and Magnetic Excitations of Metal-Encapsulating Si Cages: A Systematic Study by Time-Dependent Density Functional Theory	Journal of Physical Chemistry C	2014	25
10	Reply to “Comment on ‘Energy and pressure versus volume: Equations of state motivated by the stabilized jellium model’ ”	Physical Review B	2003	23
11	A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations	Journal of Computational Chemistry	2014	23
12	Slabs of stabilized jellium: Quantum-size and self-compression effects	Physical Review B	2000	20
13	Benchmarking the AK13 Exchange Functional: Ionization Potentials and Electron Affinities	Journal of Chemical Theory and Computation	2014	15
14	Density functional theory studies of oxygen and carbonate binding to a dicopper patellamide complex	Journal of Inorganic Biochemistry	2008	13
15	Hypoxia in Vascular Networks: A Complex System Approach to Unravel the Diabetic Paradox	PLoS ONE	2014	9
16	Energetics of charge distributions	European Journal of Physics	2002	8
17	Exploration Guides as a Strategy To Improve the Effectiveness of Educational Software in Chemistry	Journal of Chemical Education	2010	8
18	Metallic slabs: perturbative treatments based on jellium	Progress in Surface Science	2001	4
19	Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory	Journal of Chemical Physics	2009	4
20	PEIERLS–YOCCOZ PROJECTION IN σ–ω MODELS	International Journal of Modern Physics E	2005	3
21	A proposed model for small-world structural organization of mission teams and tasks in order to optimize efficiency and minimize costs	Acta Astronautica	2006	3
22	Recent Memory and Performance Improvements in Octopus Code	Lecture Notes in Computer Science	2014	3
23	Visualising molecules: on-line simulations and virtual reality	Europhysics News	2001	2
24	Information Flow in Systems of Interacting Agents as a Function of Local and Global Topological Features	Computer Communications and Networks	2010	0

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