OCCAM: Difference between revisions
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'''OCCAM''' is | Beside ordinary [[Coarse graining |coarse-grained]] models, '''OCCAM MD''' code is able to perform hybrid Particle-Field (hPF) [[Molecular dynamics | molecular dynamics]] (MD) simulations. | ||
The hPF method combines MD and self-consistent field theory (SCF). The main feature of hPF approach is that the evaluation of the nonbonded forces between particle pairs is replaced by an evaluation of an external potential dependent on the local density. This framework allows to development [[Coarse graining |coarse-grained]] models with chemical specificity but at the same time, using an efficient parallelization scheme, opens the possibility to simulate large-scale systems. | |||
==References== | ==References== | ||
<references/> | <references/> | ||
Revision as of 17:23, 7 April 2022
Beside ordinary coarse-grained models, OCCAM MD code is able to perform hybrid Particle-Field (hPF) molecular dynamics (MD) simulations. The hPF method combines MD and self-consistent field theory (SCF). The main feature of hPF approach is that the evaluation of the nonbonded forces between particle pairs is replaced by an evaluation of an external potential dependent on the local density. This framework allows to development coarse-grained models with chemical specificity but at the same time, using an efficient parallelization scheme, opens the possibility to simulate large-scale systems.