Atomistic Simulation

 

Modeling methods that use the atom as their basic 'building block'. See also molecular modeling.

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Atomic motion computer simulations of macromolecular systems are increasingly becoming an essential part of materials science and nanotechnology. Recent advances in supercomputer simulation techniques provide the necessary tools for performing computations on nanoscale objects containing as many as 300,000 atoms and on materials simulated with 1,000,000 atoms. This new capability will allow computer simulation of mechanical devices or molecular machines using nanometer size components. [The Center for Computational Sciences at the ORNL]

Source

Atomic motion computer simulations of macromolecular systems are increasingly becoming an essential part of materials science and nanotechnology. Recent advances in supercomputer simulation techniques provide the necessary tools for performing computations on nanoscale objects containing as many as 300,000 atoms and on materials simulated with 1,000,000 atoms. This new capability will allow computer simulation of mechanical devices or molecular machines using nanometer size components.

Source

Atomic motion computer simulations of macromolecular systems are increasingly becoming an essential part of materials science and nanotechnology. Recent advances in supercomputer simulation techniques provide the necessary tools for performing computations on nanoscale objects containing as many as 300,000 atoms and on materials simulated with 1,000,000 atoms. This new capability will allow computer simulation of mechanical devices or molecular machines using nanometer size components. [The Center for Computational Sciences at the ORNL]

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