JuliaCon 2025

Letícia Madureira

Leticia Madureira is a PhD student at Carnegie Mellon University working on Computational Quantum Chemistry Methods.


Sessions

07-22
09:00
180min
Introduction to Julia
Matt Bauman, Ethan Meitz, Letícia Madureira

Kick-start JuliaCon 2025 with this half-day workshop to pick up the language. Discover what makes Julia special and start writing your own code right away. No prior Julia experience is necessary; this workshop is geared towards anyone with basic programming knowledge from another language.

General
Main Room 5
07-25
10:30
30min
Computational Quantum Chemistry with Sparse Matrix Algorithms
Letícia Madureira

Julia's capabilities in complex mathematical operations and its efficient use of sparse matrices make it an optimal choice for modeling quantum chemical interactions. The methods of simulating these interactions often involve dense matrix computations, which are computationally expensive and memory-intensive. The use of sparse matrix algorithms in Julia for quantum addresses these challenges by significantly reducing the computational resources required, thus enabling more extensive simulations.

Computational Chemistry and Materials Science Minisymposium
Main Room 2
07-25
14:30
30min
Optimizing Gaussian Basis Sets with Automatic Differentiation
Letícia Madureira

This talk will focus on the BasisSets.jl package, available at https://github.com/HartreeFoca/BasisSets.jl, which leverages Julia's state-of-the-art capabilities in automatic differentiation (AD) to optimize Gaussian basis sets, a fundamental component in molecular modeling.

Methods and Applications of Scientific Machine Learning (SciML)
Main Room 3