The high-throughput highway to computational materials design
… High-throughput computational materials design is an emerging area of materials science.
By combining advanced thermodynamic and electronic-structure methods with intelligent …
By combining advanced thermodynamic and electronic-structure methods with intelligent …
Computational materials design and engineering
CJ Kuehmann, GB Olson - Materials Science and Technology, 2009 - Taylor & Francis
… In summary, the example of the S53 steel (AMS 5922) demonstrates how computational
materials design enabled the development of a complex multicomponent alloy that targeted …
materials design enabled the development of a complex multicomponent alloy that targeted …
Computational materials design of crystalline solids
… We explore the development process associated with computational materials design, from
setting the requirements and descriptors to the development and testing of new materials. As …
setting the requirements and descriptors to the development and testing of new materials. As …
Toward computational materials design: the impact of density functional theory on materials research
J Hafner, C Wolverton, G Ceder - MRS bulletin, 2006 - cambridge.org
… had an increasingly important impact on materials science, not only in fundamental understanding
but also with a strong emphasis toward materials design for future technologies. The …
but also with a strong emphasis toward materials design for future technologies. The …
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Integrated computational materials engineering for advanced materials: A brief review
… computational materials science and engineering is extremely important to enhance the
education of the next generation of computational materials … in computational materials science. …
education of the next generation of computational materials … in computational materials science. …
Uncertainty quantification and propagation in computational materials science and simulation-assisted materials design
P Honarmandi, R Arróyave - … Materials and Manufacturing Innovation, 2020 - Springer
… uncertainty in the predictions derived from the computational models. Here, we review some
… in computational materials science and ICME-based simulation-assisted materials design. …
… in computational materials science and ICME-based simulation-assisted materials design. …
Key computational modeling issues in integrated computational materials engineering
… and multidisciplinary design optimization communities are grappling with many … -based
design. This paper explores computational and information aspects of design of materials with …
design. This paper explores computational and information aspects of design of materials with …
Computational materials design and processing: perspectives for atomistic approaches
E Wimmer - Materials Science and Engineering: B, 1996 - Elsevier
… and computational methods on the atomistic level have now matured to a point where their
impact on the design of materials … of the major current computational approaches with special …
impact on the design of materials … of the major current computational approaches with special …
Computational materials design of a corrosion resistant high entropy alloy for harsh environments
… Integrated computational materials engineering (ICME) is a modern systems-based … to
design materials that meet specific performance criteria by linking computational materials models …
design materials that meet specific performance criteria by linking computational materials models …
Integrated computational materials design for high-performance alloys
… of an integrated computational materials design (ICMD) technology. The hierarchical structure
of its methods, tools, and supporting fundamental materials databases is reviewed here, …
of its methods, tools, and supporting fundamental materials databases is reviewed here, …