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Here, we propose to perform atomistic molecular simulations using novel enhanced sampling algorithms.
"They lost a lot of information on the mesoscale, which is between the atomistic and continuum scales."
Specifically, the book argues that William Blake, Johann Wolfgang von Goethe, and Percy Shelley return to Lucretius, and the atomistic materialism of De Rerum Natura, as a consciously anachronistic tactic to disrupt and unsettle the scientific discourses of the day.
What is the attraction of an atomistic metaphysics?
The Hoovers provide an example-based treatment of numerical methods for atomistic and continuum simulations of systems at and away from equilibrium, but focus mostly on non-equilibrium systems, and stress the use of tools from dynamical systems theory.
Here we refer to atomistic simulations in Atomistix ToolKit (ATK) [18, 19] as later explained (ATK Figure 4), but in general any reference data, for example, experimental values, could be included.
[10] investigated the nonlinear mechanical behavior of perfect [gamma]-graphyne by using an atomistic finite element model.
Midrash is often described as "atomistic", or "versocentric", meaning that it focuses narrowly on specific details of a text rather than seeking to understand them in context.
The fluid flows in these devices involve a broad range of scales from atomistic scale to macroscopic scale [1].
Although materials such as feldspars are very potent ice nuclei, their structures are a challenge to characterization and atomistic modeling approaches because of their complex chemical composition and low structural symmetry.
Dr Elton Santos from the Atomistic Simulation Research Centre at Queen's, said: "We have developed a theoretical framework that predicts and guantifies the degree of 'transparency' up to the limit of one-atom-thick, 2D materials, to an electrostatic field.
As Gretchen Meyers (2012, 8) concludes, "One might suggest that for Vitruvius 'monumentality' is the opposite of 'ephemerality'; it encompasses something sturdy, long lasting, and durable." (1) This is rendered surprising by Vitruvius's active engagement with and enthusiasm for Lucretius, who stands out as an iconoclastic critic of such grandiose and ambitious monumental pretentions, since the atomistic physics and linguistics of De rerum natura emphatically limit the possibility that any monument might be everlasting, be it made of marble, bronze, or words.