Hierarchical bounding structures for efficient virial computations: Towards a realistic molecular description of cholesterics
We detail the application of bounding volume hierarchies to accelerate second-virial evaluations for arbitrary complex particles interacting through hard and soft finite-range potentials. This procedure, based on the construction of neighbour lists through the combined use of recursive atom-decompos...
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| Formaat: | Journal article |
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AIP Publishing
2017
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