Non Bulk Structure Calculations Using Codes

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OpenMD Code

Building and equilibrating a gold nanoparticle in OpenMD

In this example, we’ll build a gold nanoparticle and equilibrate it to a temperature of 300K. In future posts, we’ll add ligands and solvent to t…

OpenMD Code

This example will walk you through how to build an icosahedral gold nanoparticle and equilibrate the system to 250K. Here we will be building an ico…

OpenMD Code

What is OpenMD? OpenMD is an open source molecular dynamics engine which is capable of efficiently simulating liquids, proteins, nanoparticles, int…