Leticia-maria
Computational Chemist. Developing good software for Quantum Algorithms in Julia. PhD student at Carnegie Mellon University.
@JuliaChemicalReactions, @HartreeFocaPittsburgh, Pennsylvania, US
Pinned Repositories
BasisSets.jl
Package to parse Basis Sets from Basis Set Exchange API
OohataHuzinaga.jl
Introduction.jl
IsAvailable.jl
A Julia version of isavailable.py package of @schneiderfelipe, to check which packages are available to be installed with Pkg.jl
LearningRust-youtube
This is the repository with the tutorials of Learning Rust series in @Leticia-maria Youtube channel
Leticia-maria
Config files for my GitHub profile.
MathCase
This is a repository for MathCase notation for naming variables taken from math equations.
OpenSMILES.jl
OpenSMILES parser in Julia
QuantumFoca.jl
A repository for calculating Molecular Integrals, based on O-ohata method (1966) and Macmurchie-Davidson (1971)
RIIA_workshop
Using Julia language to perform atomic and molecular simulations
Leticia-maria's Repositories
Leticia-maria/MathCase
This is a repository for MathCase notation for naming variables taken from math equations.
Leticia-maria/JuliaFormatter.jl
An opinionated code formatter for Julia. Plot twist - the opinion is your own.
Leticia-maria/SHMO.jl
Leticia-maria/Undergrad_thesis_slides
This repository has the html code of my Undergrad Thesis slides. (I did it with Genially)
Leticia-maria/Cyclodextrins-vKM
Leticia-maria/dotfiles
Personal configuration files of my computer
Leticia-maria/heom-lab
A Matlab implementation of the Hierarchical Equations of Motion (HEOM) method for modelling open system quantum dynamics.
Leticia-maria/Links
Leticia-maria/Twitter.jl
Julia package to access Twitter API
Leticia-maria/awesome-autism
A curated list of awesome resources for Autism Spectrum Disorder and Asperger's Syndrome
Leticia-maria/build-your-own-x
🤓 Build your own (insert technology here)
Leticia-maria/color-calendar
📅 A customizable calendar JavaScript UI widget/component library with the ability to show events.
Leticia-maria/DenverCoder1
Jonah Lawrence's Profile README
Leticia-maria/Enzyme
High-performance automatic differentiation of LLVM.
Leticia-maria/ExtendedHuckel
Leticia-maria/github-pages-with-jekyll
Leticia-maria/github-trends
🚀 Level up your GitHub profile readme with customizable cards including LOC statistics!
Leticia-maria/homa
Harmonic Oscillator Model of Aromaticity
Leticia-maria/jasineri
Leticia-maria/McMurchie-Davidson
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
Leticia-maria/medium
Code for medium articles https://medium.com/@niczky12
Leticia-maria/nisancigokmen
Leticia-maria/openchemlib
Open source Java-based chemistry library
Leticia-maria/PyEnergyDiagrams
This is a simple script to plot energy profile diagrams using Python and matplotlib.
Leticia-maria/rdkit
The official sources for the RDKit library
Leticia-maria/ReactionNetworkImporters.jl
Catalyst.jl importers for various reaction network file formats.
Leticia-maria/SimpleSolver.jl
Easy interface for solving equations
Leticia-maria/tokay
Tokay is a programming language designed for ad-hoc parsing, inspired by awk.
Leticia-maria/tower-http
HTTP specific Tower utilities.
Leticia-maria/UsingXSEDE_tutorial
A tutorial for running calculations in XSEDE through Visual Studio Code