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Toward more efficient density‐based adaptive QM/MM methods |
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| Authors: | Min Zheng Jissy A Kuriappan Mark P Waller |
| Institution: | Organic Chemistry Institute and Center for Multiscale Theory and Computation, Corrensstr 40, Munster, Germany |
| Abstract: | |
| Keywords: | adaptive multiscale modeling density‐based adaptive noncovalent interactions Voronoi partitioning |