Sampling Atomic Systems With Molecular Dynamics in Julia

A talk by Michael Prentiss:

Molecular dynamics is an algorithm developed to sample atomic systems. In fields from material science to biochemistry, this method has been extensively used to study a wide variety of materials. The method has been so useful it was the subject of a recent Noble Prize in Chemistry. Most molecular dynamics codes have traditionally been written in Fortran or C, but Julia is an interesting new candidate. Julia's integrated parallelism and interfaces with different languages makes Julia an excellent language for modern scientific computation. I will present my experience porting and optimizing molecular dynamics code into Julia.

The talk will be followed by the usual beers and chips (no fries) downstairs at the Billy Goat Tavern.

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  • Zhiyong W.

    Nice to meet you. :-)

    June 18

  • Evan M.

    Nice talk & good discussion along the way. I learned all sorts of new things about chemistry simulations. Thanks Mike!

    June 17

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