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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… 
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Papers overview

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Highly Cited
2018
Highly Cited
2018
Python‐based simulations of chemistry framework (PySCF) is a general‐purpose electronic structure platform designed from the… 
Review
2014
Review
2014
A wide range of materials, like d-wave superconductors, graphene, and topological insulators, share a fundamental similarity… 
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… 
Highly Cited
2012
Highly Cited
2012
We investigate the behavior of holes in the valence band of a range of wide-band-gap oxides including ZnO, MgO, In2O3 ,G a2O3 ,A… 
Highly Cited
1998
Highly Cited
1998
INTRODUCTION AND FUNDAMENTALS. Modeling and Simulation in Materials Science. Fundamentals and Solution of Differential Equations… 
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…