Large Scale Car-Parrinello Simulation of Fully Hydrated DNA

DOI10.1007/978-3-642-55526-8_17MaRDI QIDQ4429576zbMATH OpenOpenAlexFDO

Authors Francesco Luigi Gervasio, P. Carloni, Michele Parrinello

Publication date 26 September 2003

Published in High Performance Computing in Science and Engineering, Munich 2002 (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-3-642-55526-8_17

zbMATH Keywords

ab initioCar-ParrinelloDNAelectronic structureplane waves

Mathematics Subject Classification ID

Computational methods for problems pertaining to biology (92-08) Biochemistry, molecular biology (92C40) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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