Code to execute hardware of UV-Vis Module

Calculates the form factor coeffcient (F) numerically, for use in determination of material shear moduli

Produces electron diffraction pattern graphs from TEM data. These graphs can be analyzed to determine the crystal structure of the material being examined under the microscope.

Code to execute hardware of Batch Synthesis Module

MARSAC (Multi-Axial Ring Suction for Anistortopy Characterization) is a framework that identifis material parameters of soft material from experimental data acquired in an annular suction test.

Graph Neural Network for Projected Density of States Prediction

Generating charge defect plots with energy correction included.

Research on Material Science using Neural Networks black box approach

Software to study the performance of thermoelectric materials.

Post-processing scripts for VASP output files, with focus on gnuplot formats

Python SDK core-package for working with the DataSpace Management System (DSMS)

Material Science Predictor

SUTD SHARP Research Project on the computational modelling of the interaction between a gaussian beam source and a pseudo-silicon material with a single Lorentzian resonant frequency. Uses the open-source library meep.

Recovering Microscopic Images in Material Science Documents by Image Inpainting

POSCAR3D is a 3D visualization tool for POSCAR files, offering realistic atom rendering based on van der Waals radii. Developed for researchers and students, it provides an interactive way to explore molecular structures with ease.

Opeartion Control system for Task Optimization and job Parallelization with User-optimal Schedulers

The Alchemist uses a pool of optimization algorithms and machine learning models to search for viable glass compositions for a given glass transition temperature (Tg) value.

This repository contains the Python code for generating the (ABAQUS Explicit v6.14) CAE files associated with the research paper titled "Nature-Inspired Cellular Structure Design for Electric Vehicle Battery Compartment: Application to Crashworthiness" with doi:10.3390/app10134532

Microstructure Modeling and Simulation. Generate microstructures using site-saturation condition, and simulate grain growth using Monte Carlo Potts Model.

Code and experiments accompanying our paper Injecting Domain Knowledge from Empirical Interatomic Potentials to Neural Networks for Predicting Material Properties at NeurIPS 2022