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Chapter 1

Computational Materials Discovery: Dream or Reality?

Without new materials there would be no new technologies, just old bottlenecks. Until a few years ago, new materials could only be discovered experimentally. Now the situation is dramatically different: having solved the crystal structure prediction problem—the most formidable obstacle on the way to computational materials discovery—computational design of materials has become a reality. This ongoing scientific revolution has already led to the prediction of new materials with superior properties, with subsequent experimental confirmation.

Publication details

Print publication date
02 Nov 2018
Copyright year
2019
Print ISBN
978-1-78262-961-0
PDF eISBN
978-1-78801-012-2
ePub eISBN
978-1-78801-562-2