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pmid: 12513644
While there have been many progress in the field of multiscale simulations in the space domain, in particular, due to efficient parallelization techniques, much less is known in the way to perform similar approaches in the time domain. In this paper we show on two examples that, provided we can describe in a rough but still accurate way the system under consideration, it is indeed possible to parallelize molecular dynamics simulations in time by using the recently introduced pararealalgorithm. The technique is most useful for ab initio simulations.
[PHYS.MPHY] Physics [physics]/Mathematical Physics [math-ph], [MATH.MATH-NA] Mathematics [math]/Numerical Analysis [math.NA], [PHYS.COND] Physics [physics]/Condensed Matter [cond-mat]
[PHYS.MPHY] Physics [physics]/Mathematical Physics [math-ph], [MATH.MATH-NA] Mathematics [math]/Numerical Analysis [math.NA], [PHYS.COND] Physics [physics]/Condensed Matter [cond-mat]
citations This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 105 | |
popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Top 10% | |
influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Top 1% | |
impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Top 10% |