Brandt, A., Bernholc, J., Binder, K., eds.: Multiscale Computational Methods in Chemistry and Physics. Volume 177 of NATO Science Series: Series III Computer and Systems Sciences. IOS Press, Amsterdam, Netherlands (2001) Home/Search Document Not in Database Summary Related Articles Check |
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Framework Design, Parallelization and Force Computation in.. - Matthey (Correct)
....for 3 dimensional systems are discussed. 3.4 Multi grid Multi grid (MG) was introduced in the 1960s by Fedorenko [35] and Bakhvalov [5] to solve partial differential equations. It got full attention in the 1980s, but only recently it has been applied and implemented for N body problems [13, 107]. MG scales as O(N) MG imposes a hierarchical separation of spatial scales. The pair wise interactions are split into a local and a smooth part. The local part are the short range interactions, which are computed directly. The smooth part represents the slowly varying energy contributions, ....
....sequential force can be parallelized. On the other hand, the design and development are also user and application driven: 1. Components to implement sophisticated integrators and fast force evaluators, such as MOLLY [44, 45, 58, 59, 60, 62] and Dissipative Molly [82] and multi grid summation [13, 107], PME methods [26, 27, 33, 54] and standard Ewald summation [34] 2. Facilities to compare accuracy of force methods, and to make decisions concerning optimal parameters and method for a given accuracy and system. 3. Components to time performance and analyze parallel scalability. 4. Ability to ....
A. Brandt, J. Bernholc, and K. Binder, editors. Multiscale Computational Methods in Chemistry and Physics, volume 177 of NATO Science Series: Series III Computer and Systems Sciences. IOS Press, Amsterdam, Netherlands, January 2001.
PROTOMOL: A Molecular Dynamics Research - Framework For Algorithmic (2003) (Correct)
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Brandt, A., Bernholc, J., Binder, K., eds.: Multiscale Computational Methods in Chemistry and Physics. Volume 177 of NATO Science Series: Series III Computer and Systems Sciences. IOS Press, Amsterdam, Netherlands (2001)
Parallel multigrid summation for the N-body problem - Izaguirre, Matthey (2004) (Correct)
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A. Brandt, J. Bernholc, K. Binder (Eds.), Multiscale Computational Methods in Chemistry and Physics, Vol. 177 of NATO Science Series: Series III Computer and Systems Sciences, IOS Press, Amsterdam, Netherlands, 2001.
MDSimAid: Automatic Parameter Optimization in Fast.. - Crocker, Hampton.. (2004) (Correct)
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A. Brandt, J. Bernholc, and K. Binder, Eds., Multiscale Computational Methods in Chemistry and Physics, Vol. 177 of NATO Science Series: Series III Computer and Systems Sciences, IOS Press, Amsterdam, Netherlands, 2001.
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