Sentence examples similar to computer-aided molecular design systems from inspiring English sources

This optimisation framework facilitates combining the computer-aided molecular design of the working fluid with the power-system optimisation into a single framework, thus removing subjective and pre-emptive screening criteria, and simultaneously moving towards the next generation of tailored working fluids and optimised systems for waste-heat recovery applications.

The two-dimensional illustration of complex ring systems integrated in small molecules is an important feature for the visualization of results generated by computer-aided molecular design procedures.

Some computer-aided molecular design models have these features.

In this paper, a mathematical programming-based approach to computer-aided molecular design is presented.

Here, we integrate computer-aided molecular design to realize the actual design of novel fluids.

In the first stage, the optimal mixture is designed via computer-aided molecular design (CAMD) technique.

The computer-aided molecular design of a rigid ring molecule has been performed.

This short communication presents a generic mathematical programming formulation for computer-aided molecular design (CAMD).

Computer-aided molecular design allows generating novel fluids fulfilling a set of target properties.

The platform is validated using a benchmark problems and a computer-aided molecular design (CAMD) problem.

This approach builds upon the continuous-molecular targeting – computer-aided molecular design (CoMT-CAMD) apresentedresented by Lampe et al. (2015a).