The analytic gradient is derived for the frozen domain formulation of the fragment molecular orbital (FMO) method combined with the polarizable continuum model. The accuracy is tested in comparison to ...

This article proposes a semi-supervised quality soft sensing method under multiple operating conditions for complex product manufacturing processes. First, a dual k-means operating condition ...

We present a sum of squares (SOS) method for the synthesis of nonlinear polynomial control systems. As an emerging numerical solution method in recent years, SOS targets polynomials as the research ...