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Lectures on Molecular Dynamics Modeling of Materials

Lecture 2: total energy and force calculations

This resource has a 8.2 Ranking

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Last 12 Months: updated 01 Jul, 2008
Users: 79
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Avg. Review: 0.0 out of 5 stars
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Contributor(s) Alejandro Strachan
Purdue University, West Lafayette
Abstract This lecture will describe the various models used to describe the interactions between atoms in a wide range of materials including metals, ceramics and soft materials as well as new recent advances like reactive force fields. The key physics of widely used force fields will be described as well as their accuracy.
Sponsored by

NCN@Purdue Student Leadership Team, Network for Computational Nanotechnology, The Institute for Nanoelectronics and Computing
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  • Strachan, Alejandro (2008), "Lecture 2: total energy and force calculations," http://www.nanohub.org/resources/3678/.

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Date posted 14 Jan, 2008
Time 02:30 PM, November 26, 2007
Location Potter 234 (Fu Room), Purdue University, West Lafayette, IN
Type Online Presentations
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  • 6.1 Ranking Courses Part of: Lectures on Molecular Dynamics Modeling of Materials

    Lectures on Molecular Dynamics Modeling of Materials

    Type Courses
    Contributor(s) Alejandro Strachan
    Date 09 Jan, 2008
    Avg. Rating 0.0 out of 5 stars  (0)
    Rate this

    Molecular dynamics simulations are playing an increasingly important role in many areas of science and engineering, from biology and pharmacy to nanoelectronics and structural materials. Recent breakthroughs in methodologies and in first principles-based interatomic potentials significantly …

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