| Introduction: molecular dynamics simulations |
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This short presentation
will describe the idea behind MD simulations and demonstrate its use in
real applications.
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| Lecture 1: the theory behind molecular dynamics |
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The first lecture will
provide a brief description of classical mechanics and statistical
mechanics necessary to understand the physics and approximations behind
MD and how to correctly...
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| Lecture 2: total energy and force calculations |
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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...
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| Lecture 3: simulation details and coarse grain approaches |
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The last
presentation will describe simulation techniques to simulate materials
under isothermal and isobaric conditions. We will also describe coarse
grain or mesodynamical approaches (where...
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