MatUI

St. John's, Newfoundland and Labrador | GUI for materials science

MatUI: Easy-to-use Interface for Molecular Modeling

High-Level Project Summary

MatUI is a graphical user interface built using C++ on Qt that facilitates modeling atomic and molecular sturctures of alloys. With just a few clicks, the software automatically generates and presents data and graphs from the Alloy Theoretic Automated Toolkit (ATAT) and the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). Thus, reducing errors and time spent on entering the data manually through the terminal. Also, the installer handles setting up all required packages for both simulators so that the environment is ready for development.

Link to Project "Demo"

https://docs.google.com/presentation/d/1nYPrks2IQpnb3uNLR8VIf74FZoM0Z5x2/edit?usp=sharing&ouid=112456376328493825422&rtpof=true&sd=true

Link to Final Project

https://github.com/aymanmahran/space-apps-matui

Tags

#gui, #design, #software, #simulation

GUI for materials science

The design of novel alloys via predictive computational modeling is progressing by leaps and bounds, but the numerous open-source tools available for materials science modeling are often difficult to use and interpret. Your challenge is to develop a graphical user interface (GUI) that allows easy and seamless use of these tools.