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Computational Materials Science

Known as: Computational Materials Science (journal) 
Computational Materials Science is a monthly peer-reviewed scientific journal published by Elsevier. It was established in October 1992. The editors… Expand
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Review
2018
Review
2018
Abstract Defect engineering in photocatalytic materials has been proven as a versatile approach to maneuver their performance in… Expand
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Highly Cited
2015
Highly Cited
2015
Abstract Computational science has seen in the last decades a spectacular rise in the scope, breadth, and depth of its efforts… Expand
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Highly Cited
2013
Highly Cited
2013
Part I. Some Basics: 1. Materials modelling and simulation 2. The random walk model 3. Simulation of finite systems Part II… Expand
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Highly Cited
2012
Highly Cited
2012
We present the Python Materials Genomics (pymatgen) library, a robust, open-source Python library for materials analysis. A key… Expand
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Highly Cited
2011
Highly Cited
2011
Introduction Computational materials science Methods in computational materials science Computers Molecular Dynamics Introduction… Expand
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Highly Cited
2008
Highly Cited
2008
Novel experimental possibilities together with improvements in computer hardware as well as new concepts in computational… Expand
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Highly Cited
2002
Highly Cited
2002
 
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Highly Cited
2002
Highly Cited
2002
Abnormal subgrain growth has been proposed as the nucleation mechanism for recrystallization. To test this hypothesis, Monte… Expand
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Highly Cited
1998
Highly Cited
1998
Department of Applied Mathematics, University of Western Ontario, London, Ontario N6A 5B7, Canada(February 1, 2008)A large-scale… Expand
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Highly Cited
1997
Highly Cited
1997
We present the results of a molecular dynamics computer simulation study in which we investigate whether a supercooled Lennard… Expand
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