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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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Papers overview

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Highly Cited
2015
Highly Cited
2015
AiiDA: Automated Interactive Infrastructure and Database for Computational Science
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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Review
2014
Review
2014
Dirac materials
A wide range of materials, like d-wave superconductors, graphene, and topological insulators, share a fundamental similarity… Expand
Review
2013
Review
2013
Key computational modeling issues in Integrated Computational Materials Engineering
Designing materials for targeted performance requirements as required in Integrated Computational Materials Engineering (ICME… Expand
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Highly Cited
2013
Highly Cited
2013
Introduction to Computational Materials Science: Fundamentals to Applications
Part I. Some Basics: 1. Materials modelling and simulation 2. The random walk model 3. Simulation of finite systems Part II… Expand
Highly Cited
2012
Highly Cited
2012
Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
We present the Python Materials Genomics (pymatgen) library, a robust, open-source Python library for materials analysis. A key… Expand
Highly Cited
2011
Highly Cited
2011
Computational Materials Science: An Introduction
Introduction Computational materials science Methods in computational materials science Computers Molecular Dynamics Introduction… Expand
Review
2000
Review
2000
Atomic-scale computational materials science ☆
An overview on methodology and leading-edge applications of atomistic computational materials science based on quantum mechanical… Expand
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Highly Cited
1998
Highly Cited
1998
Computational Materials Science: The Simulation of Materials Microstructures and Properties
INTRODUCTION AND FUNDAMENTALS. Modeling and Simulation in Materials Science. Fundamentals and Solution of Differential Equations… Expand
Highly Cited
1998
Highly Cited
1998
STRINGLIKE COOPERATIVE MOTION IN A SUPERCOOLED LIQUID
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
DYNAMICAL HETEROGENEITIES IN A SUPERCOOLED LENNARD-JONES LIQUID
We present the results of a molecular dynamics computer simulation study in which we investigate whether a supercooled Lennard… Expand
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