sheikhahnaf
interested in computational mat. sci. Understands C++, Fortran, Python. Acquainted with LAMMPS, QE, ASE, AiiDA & phonopy.Trying to learn MPI4py, pyCUDA & GPUMD.
Pinned Repositories
2NN_MEAMff_for_Au-Ag
2nd Nearest neighbor Parameterized MEAM potential file for Au-Ag alloy system in LAMMPS-readable format.
active-learning-md
Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Active Learning: A Case Study for Amorphous and Liquid Hafnium dioxide"
Advanced-Deep-Learning-with-Keras
Advanced Deep Learning with Keras, published by Packt
agpd
SOAP and MTP as Machine-learned Alloy Models Paper
BayesianFramework
A framework for Bayesian model selection (BMS) and Bayesian model Averaging (BMA).
FeC-elastic-pyiron
file_manipulators
some codes for text file manipulations i need everyday
Generative-Adversarial-Networks-Cookbook
lammps_vibrational_DOS
material_simulation_scripts
Useful scripts for material simulation software & pkgs
sheikhahnaf's Repositories
sheikhahnaf/lammps_vibrational_DOS
sheikhahnaf/2NN_MEAMff_for_Au-Ag
2nd Nearest neighbor Parameterized MEAM potential file for Au-Ag alloy system in LAMMPS-readable format.
sheikhahnaf/active-learning-md
Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Active Learning: A Case Study for Amorphous and Liquid Hafnium dioxide"
sheikhahnaf/material_simulation_scripts
Useful scripts for material simulation software & pkgs
sheikhahnaf/Advanced-Deep-Learning-with-Keras
Advanced Deep Learning with Keras, published by Packt
sheikhahnaf/agpd
SOAP and MTP as Machine-learned Alloy Models Paper
sheikhahnaf/BayesianFramework
A framework for Bayesian model selection (BMS) and Bayesian model Averaging (BMA).
sheikhahnaf/FeC-elastic-pyiron
sheikhahnaf/file_manipulators
some codes for text file manipulations i need everyday
sheikhahnaf/Generative-Adversarial-Networks-Cookbook
sheikhahnaf/Generative-Adversarial-Networks-Projects
Generative Adversarial Networks Projects, published by Packt
sheikhahnaf/jarvis
JARVIS-Tools: an open-source software package for data-driven atomistic materials design
sheikhahnaf/mpltex_plot_lammps
a simple script to plot using mpltex
sheikhahnaf/MSEN655
sheikhahnaf/Python-Deep-Learning-Second-Edition
Python Deep Learning Second Edition, Published by Packt
sheikhahnaf/twister2lammps_dat_file_generator
A python script to convert output of twister code into a dat file in lammps format.
sheikhahnaf/upho
Band unfolding for phonons