How to create two element input file for Aluminum (Al) and Silicon carbide (SiC).
Closed | Responses: 1
The tool is very useful for the generation of input script for the LAMMPS file. The tool uses the atomic masses of the individual crystal to generate the input structure.
Thomas A Manz
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Hina Fakirabhai Badgujar
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This tool calculates the optimal distribution of particles subject to a Coulombic potential on the surface of a sphere.
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This laboratory is intended to introduce the student to the use of semiempirical electronic structure methods. In particular, the semiempirical methods will be applied to the study of metallic clusters and the interaction of the clusters with molecules such as pyridine. The reactivity of the...
MSE 597G Lecture 4: Interatomic potentials I
out of 5 stars
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Interatomic potentials: pairwise potentials.
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The goal of this short course is to provide an introduction to the theory and algorithms behind MD simulations, describe some of the most exciting recent developments in the field and exemplify with a few applications applications. The series also includes a tutorial on the nanoMATERIALS...
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Reactive force fields,Parameterization of interatomic potentials
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Northwestern University Initiative for Teaching Nanoscience
12 Aug 2008 | | Contributor(s):: Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.