computationalmaterials blogspot.com

Computer Simulation of Materials

Simulation is the imitation of some real thing, state of affairs, or process. A computer simulation is an attempt to model a real-life or hypothetical situation on a computer so that it can be studied to see how the system works. Materials science or materials engineering is an interdisciplinary field involving the properties of matter and its applications to various areas of science and engineering. The material science also deals with fundamental properties and characteristics of material.

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Computer Simulation of Materials

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Simulation is the imitation of some real thing, state of affairs, or process. A computer simulation is an attempt to model a real-life or hypothetical situation on a computer so that it can be studied to see how the system works. Materials science or materials engineering is an interdisciplinary field involving the properties of matter and its applications to various areas of science and engineering. The material science also deals with fundamental properties and characteristics of material.

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This web page computationalmaterials.blogspot.com states the following, "Tuesday, July 27, 2010." We saw that the webpage said " For the first principles quantum dynamics calculation done by NANIWA series." It also said " Can be broken down into two main stages, viz. 1 Determination of the effective potential energy hyper- surface. PES governing the reaction, based on the density functional. 2 Solution of the corresponding multi-dimensional Schrodinger. Equation for the reaction described by the above-determined. PES, based on the coupled-channel method 2,3 and the."

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