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Dec 6, 2021 · Nanomaterial Modeler provides versatile methods to generate nanoparticle structures and surface modeling. One of the classic models to describe ...
Oct 17, 2019 · Full atomistic MD simulations are the method of choice when small drug molecules are involved, while CG models are the only opportunity if the ...
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Nov 9, 2022 · Nano-scale materials have unique electronic, optical, and chemical properties that make them attractive for a new generation of devices.
The first approach involves models based on reaction field theory and polarizable continuum methods. Linear scaling is more elaborate method in which rigorous ...