fernandezfran

galpynostatic

:zap::battery: A Python/C++ package with physics-based models to predict optimal conditions for fast-charging lithium-ion batteries

exma

A Python library with C extensions to analyze and manipulate molecular dynamics trajectories and electrochemical data

macchiato

:atom_symbol::robot: Data-driven nearest neighbor models for predicting experimental results on silicon lithium-ion battery anodes

sierras

:mountain::thermometer: A tool for empirical Arrhenius equation fitting for thermally-induced physicochemical processes

DFTB_LiSi_amorphous

Structures obtained in the PRB article "NMR, x-ray and Mössbauer results for amorphous Li-Si alloys using density functional tight-binding method"

fiscomp

Códigos en Fortran y scripts de Gnuplot que escribí mientras cursé Física computacional (curso de posgrado en Física - FaMAF)

tiny_md

tiny molecular dynamics (Trabajo final de Computación Paralela, curso de posgrado de FaMAF)

aelm

accelerated exploration of local minima

bici

A real-time visualization of the Monte Carlo 2D Ising model for teaching purposes

bmxfc

:bar_chart::bulb: Datasets, pipelines and predictions of a metric for benchmarking an extreme fast-charging of Li-ion battery electrode materials

cluster-connections

A clustering algorithm that classifies second nearest neighbor atom pairs based on the number of interconnecting first neighbors.

ctypes_example

deployment

deployment of machine learning models

home

simple and useful linux home config files and bash scripts

MLPotentials

Machine learning interatomic potentials and their application to lithium batteries (seminar talk in Spanish).

NLPChallenge

Natural Language Processing Challenge of Machine Learning A-Z udemy course

dbfit

galpipeline

Pipeline and datasets of "Towards a fast-charging of LIBs electrode materials: a heuristic model based on galvanostatic simulations" article

lithiation_protocol

Lithiation of amorphous silicon protocol

metcomp

Resolución de ejercicios de la especialidad Métodos Computacionales usando librerías de Python (cusro de la Licenciatura en Química de la UNC)

python_UNSAM

Curso de programación en Python - UNSAM

thesis

:blue_book::computer: Computational modeling for the development of next-generation lithium-ion battery electrodes