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Akhlak Mahmood

Postdoctoral Fellow
Georgia Institute of Technology

Ph.D. in Physics
North Carolina State University

Find me at

LinkedIn GMail
Website: akhlakm.github.io


Molecular Dynamics Simulations

OpenMol               - Python package to convert between LAMMPS and AMBER file formats

LAMMPS MSPIN          - LAMMPS plugin for magnetic nanoparticles simulation with atomistic resolution

2D Ising Model        - Two dimensional Ising model simulator in Python

Hybrid Monte Carlo    - Hybrid Monte Carlo method to study lennard jones fluid



Tools and Utils

Ansible               - Ansible configurations to manage a homelab

Snap Shot             - Git style backup and snapshot utility for binary files

GDrive CLI            - Python client to selectively sync Google Drive directories


Projects

GPR Kernels           - Analysis of the Gaussian Process Regression algorithm and its kernels

Causal Inference      - Python codes to understand the effects of causal intervention and confounding

REU Lecture           - Codes and data on Gaussian Process Regression lecture (REU 2021, NCSU)

Computational Physics - C++ codes of Computational Physics course (DU Physics, 2016)

Akhlak Mahmood's Projects

akhlakm icon akhlakm

Config files for my GitHub profile.

ansible icon ansible

Ansible configurations to manage a homelab

bash_working_directory icon bash_working_directory

Random-access directory storage for Bash. Navigate deep project hierarchies super fast. The root of your current project is just a 'wd' away.

causal_inference icon causal_inference

Python codes to understand the effects of causal intervention and confounding

cnn_lj_pote_predict icon cnn_lj_pote_predict

Prediction of potential energy of 2D Lennard-Jones fluids using Convolutional Neural Network

dcs-cluster icon dcs-cluster

On-premise Distributed Computing and Storage cluster deployment using Ansible and Docker.

emc-pypi icon emc-pypi

Python interface for Enhanced Monte Carlo (EMC)

gpr_kernels icon gpr_kernels

Analysis of Gaussian Process Regression algorithm and various kernels

htpolynet icon htpolynet

Development of High-Throughput Polymer Network Atomistic Simulation

lammps_mspin icon lammps_mspin

LAMMPS plugin for magnetic nanoparticles simulation with atomistic resolution.

maker icon maker

YAML based workflow definition.

openmol icon openmol

Pythonic interface to convert between popular molecular dynamics file formats

pyenv-encrypt icon pyenv-encrypt

PyEnv-Encrypt selectively encrypts and decrypts the fields of ENV files keeping the keys readable.

python-logg icon python-logg

Logging and YAML-based configuration utilities in Python.

python_gdrive_cli icon python_gdrive_cli

Python CLI client to selectively sync Google Drive directories from Ubuntu terminal.

pyworkman icon pyworkman

Distributed job scheduling and workload management via a web interface.

snap_shot icon snap_shot

Git style backup and snapshot utility for binary files

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