Aims and Scope:
The aim of the journal is to publish papers that advance the field of computational materials science through the application of modern computational methods alone or in conjunction with experimental techniques to discover new materials and investigate existing inorganic materials, such as metals, ceramics, composites, semiconductors, nanostructures, 2D materials, metamaterials, and organic materials, such as polymers, liquid crystals, surfactants, emulsions, and also hybrid materials combining both inorganic and organic components such as polymer nanocomposites, nanocrystal superlattices or surfactant nanoparticle mixtures.
Papers that report on the development of new methods or the enhancement of existing approaches are of interest.
The scope of the journal includes:
- obtaining new or enhanced insights into material behavior, properties and phenomena,
- predicting structure-property relationships for new materials in conjunction with data informatics,
- novel capabilities of computational tools, technical software and shareware, or cyberinfrastructures.
Contributions are accepted in the form of critical reviews, articles, letters and perspectives. Occasional special issues will be organized around a particular theme and some of these will be guest edited.
Not all topics that potentially fall under the category of computational materials science will be considered; to find out more please visit the Guide for Authors.
Editorial board
Editor-in-Chief
- Susan Sinnott
The Pennsylvania State University Department of Materials Science and Engineering, 326 Steidle Building, University Park, Pennsylvania, 16802-7003, United States
Associate Editors
- Jeffrey Hoyt
McMaster University, USA - Yanming Ma
Jilin University, Changchun, Jilin, China - Douglas Soares Galvao
State University of Campinas, Campinas, São Paulo, Brazil - Alex Travesset
Iowa State University, Ames, Iowa, United States - Céline Varvenne
Aix-Marseille Universite, Marseille, France
Editorial Board
- Neil Allan
University of Bristol, Bristol, United Kingdom - Anna Balazs
University of Pittsburgh, Pittsburgh, Pennsylvania, United States - Gerard Barkema
Leiden University, Leiden, Netherlands - Olga Barrera
University of Oxford, Oxford, United Kingdom - Mathieu Bauchy
University of California Los Angeles, Los Angeles, California, United States - Markus Buehler
Massachusetts Institute of Technology Department of Civil and Environmental Engineering, Cambridge, Massachusetts, United States - Shi-You Chen
East China Normal University, Shanghai, China - KJ Cho
University of Texas at Dallas, Richardson, Texas, United States - Stefano Curtarolo
Duke University, Durham, North Carolina, United States - Wenhui Duan
Tsinghua University, Beijing, China - Chu-Chun Fu
French Alternative Energies and Atomic Energy Commission Saclay Center, Gif sur Yvette, France - Julian Gale
Curtin University, Perth, Western Australia, Australia - Charles-André Gandin
ParisTech, Paris, France - Benny Gerber
Hebrew University of Jerusalem, Jerusalem, Israel - Olle G. Heinonen
Argonne National Laboratory Materials Science Division, Argonne, Illinois, United States - Tilmann Hickel
Max Planck Institute for Iron Research GmbH, Dusseldorf, Germany - Elizabeth Holm
Carnegie Mellon University, Pittsburgh, Pennsylvania, United States - Douglas Irving
North Carolina State University, Raleigh, North Carolina, United States - Jianwen Jiang
National University of Singapore, Singapore - Hideaki Kasai
Osaka City University, Osaka, Japan - Michael Klein
Temple University, Philadelphia, Pennsylvania, United States - Dmitry Kopelevich
University of Florida, Gainesville, Florida, United States - Ashlie Martini
University of California Merced, Merced, California, United States - Steve Parker
University of Bath, Bath, United Kingdom - Shyue Ping Ong
University of California San Diego, La Jolla, California, United States - Giovanni Pizzi
Federal Polytechnic School of Lausanne, Lausanne, Switzerland - Timon Rabczuk
Bauhaus University Weimar Institute of Structural Mechanics, Weimar, Germany - Franz Roters
Max Planck Institute for Iron Research GmbH, Dusseldorf, Germany - Siqi Shi
Shanghai University, Shanghai, China - Douglas Spearot
University of Florida, Gainesville, Florida, United States - David Srolovitz
University of Pennsylvania Hillel, Philadelphia, Pennsylvania, United States - Edmund Tarleton
University of Oxford Department of Engineering Science, Oxford, United Kingdom - Katsuyo Thornton
University of Michigan, Ann Arbor, Michigan, United States - Blas Pedro Uberuaga
Los Alamos National Laboratory, Los Alamos, New Mexico, United States - Axel van de Walle
Brown University School of Engineering, Providence, Rhode Island, United States - Su-Huai Wei
Beijing Computational Science Research Center, Beijing, China - Aihui Zhou
Chinese Academy of Sciences, Beijing, China