2,813 Works

Spin Quantum Gate Lab

Tong Wu, Daniel Volya & Jing Guo
Simulate the device-level characteristics of spin-based quantum gates.

Glass transition temperature notebook

Benjamin Haley & Lorena Alzate-Vargas
Calculate the glass transition temperature of an atomistic, amorphous system by running MD simulations in a notebook

2D material reflectance spectra

Vu Nguyen, Hayden Taylor & Darren Adams
Simulation of the reflectance spectra of 2D materials

VEDA 2.0 (Virtual Environment for Dynamic AFM)

John Melcher, Daniel Kiracofe, Shuiqing Hu & Arvind Raman
There is a new version of this tool which can be found here: https://nanohub.org/tools/veda . Please use that tool instead

Forced Protein Unfolding

Ashlie Martini, Benjamin Rafferty & Zachary Flohr
Molecular dynamics simulation of forced protein unfolding

Calibration using DAKOTA

Saaketh Desai & Alejandro Strachan
Uses DAKOTA to perform deterministic and Bayesian calibration


Shaikh Ahmed & Dragica Vasileska
Quantum-corrected Monte-Carlo transport simulator for two-dimensional MOSFET devices.

Drift-Diffusion Lab

Saumitra Mehrotra, Abhijeet Paul, Gerhard Klimeck & Gloria Budiman
Simulate single semiconductor characteristics

DFT calculations with Quantum ESPRESSO

Janam Jhaveri, Ravi Vedula, Alejandro Strachan & Benjamin Haley
DFT calculations of molecules and solids


Dairui Chen, Jay Mashl, Nahil Sobh & Eric Jakobsson
Implementation of the popular molecular dynamics software suite GROMACS

Bayesian Calibration

Martin Hunt, Benjamin Haley, Jan Ebinger & Alejandro Strachan
Given a model, input data for some paramaters and output data, calibrate unknown input parameters

Nanosphere Electrostatics Lab

JCS Kadupitiya, Nicholas Brunk, Sohile Ali, C., Fox, & Vikram Jadhao
The Nanosphere Electrostatics Lab empowers users to simulate the self-assembly of ions near a spherically shaped nanoparticle, and extract the effective electrostatic properties.

1D Heterostructure Tool

Arun Akkala, Sebastian Steiger, Jean Sellier, Sunhee Lee, Michael Povolotskyi, Tillmann Kubis, Hong-Hyun Park, Samarth Agarwal & Gerhard Klimeck
Poisson Schrödinger Solver for 1D Heterostructures


Pradeep Nair, Jonghyun Go, Graeme Landells, Tejas Pandit & Muhammad Alam
BioSensorLab is a tool to evaluate and predict the performance parameters of Biosensors.

KP Nanowire/UTB FET

Mincheol Shin
Simulate Nanowire/UTB FETs Using KP method

PETE : Purdue Emerging Technology Evaluator

Arijit Raychowdhury, Charles Augustine, Yunfei Gao, Mark Lundstrom & Kaushik Roy
Using PETE one can evaluate any MOSFET like devices or any New Devices in terms of performance on Benchmark circuits. The input to the tool can be in terms of typical MOSFET parameters or in terms of I-V and C-V tables. The Benchmark circuits include minim

nicktest title update3334

Alissa Nedossekina, Xufeng Wang, Steven Clark, Arun Akkala & Nicholas Kisseberth
testing contribtool again


Kunal Shah, Patrick Chiu, Jing Xu & Susan Sinnott
Parallel Molecular Dynamics (MD) code that models surfactant structures in water and at liquid/solid interfaces.

PUQ Uncertainty Quantification Tool

Martin Hunt
A framework for uncertainty quantification, sensitivity analysis and parameter sweeps.


Thomas Cool, R. GarcĂ­a & Alex Bartol
Python-based libraries for the calculation of phase diagrams and thermodynamic properties

ab initio Model for Mobility and Seebeck coefficient using Boltzmann Transport (aMoBT) equation

Alireza Faghaninia, Joel Ager & Cynthia Lo
ab initio electronic transport model to calculate low-field electrical mobility and Seebeck coefficient of semiconductors in Boltzmann transport framework.


Yang Xu & Narayan Aluru
Compute the charge density distribution and potential variation inside a MOS structure

Bulk GaAs Ensemble Monte Carlo

Mohamed Mohamed, Anjali Bharthuar & Umberto Ravaioli
Basic Ensemble Monte Carlo code for study of electron transport in bulk GaAs

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