Optimization of density functional tight-binding and classical reactive molecular dynamics for high-throughput simulations of carbon materials

Jacek Jakowski*, Bilel Hadri, Steven J. Stuart, Predrag Krstic, Stephan Irle, Dulma Nugawela, Sophya Garashchuk

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

1 Scopus citations

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