fernandezfran Goto Github PK

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

dbfit

deployment

deployment of machine learning models

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"

exma

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

fiscomp

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

galpipeline

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

galpynostatic

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

home

simple and useful linux home config files and bash scripts

lithiation_protocol

Lithiation of amorphous silicon protocol

macchiato

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

metcomp

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

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

python_unsam

Curso de programación en Python - UNSAM

sierras

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

thesis

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

tiny_md

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