Leticia-maria / RIIA_workshop

Using Julia language to perform atomic and molecular simulations

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About Julia

Julia is a new programming language developed for scientific and numerical programming. As a chemist, how can we use this new tool to improve and implement techniques for molecular modelling? At the end of this workshop, you will be able to answer that question, after introducing the use of the Quantumfoca.jl package and Fermi.jl, the fastest solver for molecular integrals in the world! See you there!

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About Me

Leticia Madureira is a quantum chemist and computer scientist trying to solve problems with computers, from math background to machine learning predictions. She currently does scientific divulgation on Github and Youtube as an active contributor to Julia language. She has just started her PhD at CMU (Carnegie Mellon University) and joined Gomes group.

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Using Julia language to perform atomic and molecular simulations


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