Molecular Dynamics Ensemble Sandbox

This tool is a front-end for content for the Purdue Physical Chemistry Laboratory CHM37301. It fetches updates automatically from the github.com/mreppert/CHM37301content project.

Effective-mass / NEGF simulator for electronic transport in Si nanostructures

Jsc is an important performance parameter to study solar cells. Calculating Jsc from EQE requires a lot of effort as interpolation and integration are to be performed with precision. This tool gives results within seconds.

Tools for Atomic-Scale Modeling

Tools for Atomic-Scale Modeling

Tool for teaching the general effects of competition on co-infection.

A lab activity for introduction to machine learning in materials science

Prototype 2-D multicellular simulation of COVID19.

Base tool for CompuCell3D version 4 and greater. Allows running any of the demos included with CC3D (<HOME>/CompuCell3D_Demos/Demos)

PIOT hub for python models

Chemical Autencoder uses machine learning for property prediction

Photonic Crystal characteristics in an easy way

Ion tracing program for ion trap Mass Spectrometry chemical sensing

The continuous casting of weld filler wire is simulated using a 1D finite volume method.

Convert .obj files to DDSCAT shape files

Use Gaussian processes to represent x-y data

Simulate heat transport by solving one dimensional Boltzmann transport equation.

Non-equilibrium Green's Function Density Functional Theory Simulator

Simulate Thermophotovoltaics With Rare Earth-Based Selective Emitters

This tool involves discovering the universality of the HCI damage

Scattering solutions for a core-shell spherical particle on a planar lamellar substrate

Build thermoplastic polymer chains and run LAMMPS to relax the chains and study mechanical properties