In this paper we report our recent results on the design of materials with controlled properties by the application of computational chemistry methods, new algorithms and scalable software.
CITATION STYLE
Boatz, J., Gordon, M. S., Voth, G., Hammes-Schiffer, S., & Pachter, R. (2001). New materials design. In Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) (Vol. 2073, pp. 1108–1116). Springer Verlag. https://doi.org/10.1007/3-540-45545-0_122
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