Large Scale Car-Parrinello Simulation of Fully Hydrated DNA

DOI10.1007/978-3-642-55526-8_17zbMath1022.92044OpenAlexW154921371MaRDI QIDQ4429576

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

plane wavesDNAelectronic structureab initioCar-Parrinello

Mathematics Subject Classification ID

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

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