نتایج جستجو برای: sequential sampling

تعداد نتایج: 295720  

Journal: :The Journal of chemical physics 2008
Hao Hu Zhenyu Lu Jerry M Parks Steven K Burger Weitao Yang

To accurately determine the reaction path and its energetics for enzymatic and solution-phase reactions, we present a sequential sampling and optimization approach that greatly enhances the efficiency of the ab initio quantum mechanics/molecular mechanics minimum free-energy path (QM/MM-MFEP) method. In the QM/MM-MFEP method, the thermodynamics of a complex reaction system is described by the p...

2013
Claudia Schmegner

Introduced in 1990s, sequential plans generalize and optimize the classical sequential procedures allowing sampling in groups of variables sizes. Sequential plans are preferred to pure sequential procedures when the cost function is non-linear so that each observed group implies an additional fixed cost. Optimal plans minimize the risk, a weighted sum of the expected loss, cost of observations,...

Journal: :International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 2013

نمودار تعداد نتایج جستجو در هر سال

با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید