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Multiscale Simulation Methods in Molecular Sciences

Multiscale Simulation Methods in Molecular Sciences
by J. Grotendorst, N. Attig, S. Bluegel, D. Marx

Publisher: Julich Supercomputing Centre 2009
ISBN-13: 9783981084382
Number of pages: 592

Three topic areas will be covered focusing on how to deal with hard matter, soft matter, and bio matter where it is necessary to cope with disparate length and time scales. Aspects like coarse graining of molecular systems and solids, quantum/classical hybrid methods, embedding and multiple time step techniques, creating reactive potentials, multiscale magnetism, adaptive resolution ideas or hydrodynamic interactions will be discussed in detail.

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