León Alday
Chem grad student, interested in imperative and functional programming.
Session
07-29
16:10
10min
Using Julia and group theory to describe Molecular Vibrations
León Alday, Roberto Bernal-Jaquez
Julia is used along applied group theory to solve the problem of describing and classifying molecular vibrations, a highly demanding computational problem. The solution of this problem using applied group theory requires, high numerical capabilities, a fast and an extensive use of matrix operations and the possibility to efficiently handle different kinds of data structures. It is shown that Julia is one of the best options for implementing fast, reliable and accurate solutions.
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