MD Simulation

By Sanket S Mahajan1, Ganesh Subbarayan1, Xufeng Wang1

1. Purdue University

Code to perform Molecular Dynamics (MD) Simulations

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Version 1.0.2 - published on 14 Nov 2014

doi:10.4231/D3PC2T958 cite this

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Nano-structured composite materials consisting of nano-wires and nano-particles in a matrix are used widely in applications such as micro-electronics, solar cells, aircraft design etc. Nano-structured materials consisting silica (silicon dioxide) are used in electronic packages. SETUMD can be used to study the structure and geometry of these systems. It also provides the ability to determine transport properties such as thermal conductivity of a silica nano-wire or nano-particle.


Thanks to the following people for their contributions to this work:
Sanket Mahajan... Molecular Dynamics author
Ganesh Subbarayan... Professor in charge
Xufeng Wang... Rappture code for mdsim

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    1. Simulations were performed by SETUMD on
  • Sanket S Mahajan, Ganesh Subbarayan, Xufeng Wang (2014), "MD Simulation," (DOI: 10.21981/D3PC2T958).

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