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Computational Materials Science
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Computational Materials Science
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3.2
(top 5%)
Impact Factor
3.4
(top 5%)
extended IF
124
(top 2%)
H-Index
5.4K
authors
10.8K
papers
245.4K
citations
3.9K
citing journals
81K
citing authors
Most Cited Articles of Computational Materials Science
Title
Year
Citations
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
1996
41.7K
A fast and robust algorithm for Bader decomposition of charge density
2006
5.9K
First-principles computation of material properties: the ABINIT software project
2002
2.6K
MOLCAS: a program package for computational chemistry
2003
1.6K
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
2013
1.4K
Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale
2003
1.4K
Solid state calculations using WIEN2k
2003
843
Systematic analysis of local atomic structure combined with 3D computer graphics
1994
833
A generalized synchronous transit method for transition state location
2003
828
High-throughput electronic band structure calculations: Challenges and tools
2010
822
Pseudopotentials for high-throughput DFT calculations
2014
739
Pseudopotentials periodic table: From H to Pu
2014
670
Molecular dynamics simulations of the elastic properties of polymer/carbon nanotube composites
2007
611
A high-throughput infrastructure for density functional theory calculations
2011
609
Bulk properties and electronic structure of SrTiO3, BaTiO3, PbTiO3 perovskites: an ab initio HF/DFT study
2004
594
AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations
2012
583
AFLOW: An automatic framework for high-throughput materials discovery
2012
581
Constitutive modeling for elevated temperature flow behavior of 42CrMo steel
2008
461
A review on the application of nonlocal elastic models in modeling of carbon nanotubes and graphenes
2012
431
Theoretical study of the nonlinear conductance of Di-thiol benzene coupled to Au(1 1 1) surfaces via thiol and thiolate bonds
2003
425
High strain rate fracture and C-chain unraveling in carbon nanotubes
1997
417
Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure
2008
400
Numerical simulation of temperature field and residual stress in multi-pass welds in stainless steel pipe and comparison with experimental measurements
2006
399
Seeing auxetic materials from the mechanics point of view: A structural review on the negative Poisson’s ratio
2012
384
Overcoming the doping bottleneck in semiconductors
2004
377
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How are inpact factors calculated?
The impact factor (IF) is calculated by counting citations from peer-reviewed journals only.
extended IF
also counts citations from books and conference papers. However, no patent, abstract, working papers, online documents, etc., are covered.
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