Efficient enumeration-selection computational strategy for adaptive chemistry

HIGHLIGHTS

• who: Yachong Guo from the Nanjing University have published the research: Efficient enumeration-selection computational strategy for adaptive chemistry, in the Journal: Scientific Reports Scientific Reports
• what: By introducing independent conformations Ŵ placed in fixed fields the authors provide a basis for a very efficient parallelization scheme, but for the price of neglecting correlations and limiting application to the mean field description.

SUMMARY

Such independence of tasks can be realized in the quasi-instantaneous field approximation, where individual molecules interact between each other through fixed or rarely updated mean ­fields23. In such . . .

 



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