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First Principles Nano-mechanical Assembly Line for Rational Materials & Drug Design

A. Laaksonen
Stockholm University, SE

Keywords:
rational materials design, hierarchical multiscale modelling, first principles computer simulations, biotechnology, medical manufacturing, nanotechnology, chemical engineering, drug design & delivery, alternative energy, environment

Abstract:
Accurate interactive modelling/simulation tool for design, assembly, manipulation and analysis of matter (inorganic, organic and biological etc) from first-principles quantum mechanics to nano-scale through a true hierarchical multiscale approach. No force fields or empirical parameters needed. A novel hardware-software-theory combination for rational materials design. Eliminates initial trial-and-error and guesswork.

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