3,250 Works

MD Sandbox

Daniel Nguyen, Zachary Bastian, Michael Sakano, Saswat Mishra & Alejandro Strachan
Molecular Dynamics Ensemble Sandbox

Purdue Physical Chemistry Lab CHM37301

Michael Reppert
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.

EOLAS NEGF Transport Simulator

Alfonso Sanchez & Thomas Kelly
Effective-mass / NEGF simulator for electronic transport in Si nanostructures

Calculating short circuit current density (Jsc) from external quantum efficiency (EQE)

Prateek Malhotra, & Ganesh Sharma
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.

MIT Atomic-Scale Modeling Toolkit

Daniel Richards, Elif Ertekin, Jeffrey Grossman, David Strubbe, Justin Riley & Enrique Guerrero
Tools for Atomic-Scale Modeling

MIT Atomic-Scale Modeling Toolkit

Daniel Richards, Elif Ertekin, Jeffrey Grossman, David Strubbe, Justin Riley & Enrique Guerrero
Tools for Atomic-Scale Modeling

Viral Kinetics: Competition Between Infections for Limited Resources

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

Machine Learning Lab Module

A lab activity for introduction to machine learning in materials science

PhysiCell model for COVID19

Randy Heiland, Yafei Wang & Paul Macklin
Prototype 2-D multicellular simulation of COVID19.

CompuCell3D v4 Main Tool

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

PIOT hub for Automated Generation of Regional PIOTs

Shweta Singh, Lan Zhao, Jaewoo Shin & Venkata Vunnava
PIOT hub for python models

Chemical Autoencoder for Latent Space Enrichment

Bryan Arciniega, Mackinzie Farnell, Nicolae Iovanac & Brett Savoie
Chemical Autencoder uses machine learning for property prediction


Colin McAndrew

Simple Photonic Crystals

Jing Ouyang, Xufeng Wang & Minghao Qi
Photonic Crystal characteristics in an easy way

Mass spectrum ion trajectory

Wei Xu, William Chappell, Zheng Ouyang & Xufeng Wang
Ion tracing program for ion trap Mass Spectrometry chemical sensing

Continuous casting of weld filler wire

Kyle Fezi, Martin Hunt, Matthew Krane, Benjamin Haley & Alejandro Strachan
The continuous casting of weld filler wire is simulated using a 1D finite volume method.

DDSCAT Convert: A Target Generation Tool

John Feser & AbderRahman Sobh
Convert .obj files to DDSCAT shape files

Gaussian process regression in 1D

Ilias Bilionis, Alejandro Strachan, Benjamin Haley, Martin Hunt, Rohit Tripathy & Sam Reeve
Use Gaussian processes to represent x-y data

1-D Phonon BTE Solver

Joseph Sudibyo, Amr Mohammed & Ali Shakouri
Simulate heat transport by solving one dimensional Boltzmann transport equation.

Quantum Dot Lab

Prasad Sarangapani


Kirk Bevan
Non-equilibrium Green's Function Density Functional Theory Simulator

Thermophotonic Selective Emitter Simulation

Anubha Mathur, Enas Sakr & Peter Bermel
Simulate Thermophotovoltaics With Rare Earth-Based Selective Emitters

Hot Carrier Degradation Universal Scaling

Xin Jin
This tool involves discovering the universality of the HCI damage


Rohith Chandrasekar, Urcan Guler, Ludmila Prokopeva & Alexander Kildishev
Scattering solutions for a core-shell spherical particle on a planar lamellar substrate

Polymer Modeler

Benjamin Haley, Nate Wilson, Chunyu Li, Andrea Arguelles, Eugenio Jaramillo & Alejandro Strachan
Build thermoplastic polymer chains and run LAMMPS to relax the chains and study mechanical properties

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Resource Types

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