Multiresolution algorithms for massively parallel molecular dynamics simulations of nanostructured materials

DOI10.1016/S0010-4655(99)00539-1zbMath1002.81574MaRDI QIDQ1578155

Shuji Ogata, Alok Chatterjee, Rajiv K. Kalia, Priya Vashishta, Timothy J. Campbell, Aiichiro Nakano

Publication date: 7 January 2003

Published in: Computer Physics Communications (Search for Journal in Brave)

zbMATH Keywords

waveletsdata-compression scheme based on fractalsionic and covalent effectsmultimillion atom molecular-dynamics (MD) simulationsnanostructured silicon carbideoxidation of aluminum

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Many-body theory; quantum Hall effect (81V70) Molecular physics (81V55)

Related Items (1)

Meso-scale fusion: A method for molecular electronic state calculation in inhomogeneous materials

Uses Software

• MPI

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