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
BENJAMIN AFFLERBACH, Rundong Jiang, Josh Tappan & DANE MORGAN
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
R3
Colin McAndrewSimple 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 SarangapaniMatdcal
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
PhotonicsPOS
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