Simulate the device-level characteristics of spin-based quantum gates.
Calculate the glass transition temperature of an atomistic, amorphous system by running MD simulations in a notebook
Simulation of the reflectance spectra of 2D materials
There is a new version of this tool which can be found here: https://nanohub.org/tools/veda . Please use that tool instead
Molecular dynamics simulation of forced protein unfolding
Uses DAKOTA to perform deterministic and Bayesian calibration
Quantum-corrected Monte-Carlo transport simulator for two-dimensional MOSFET devices.
Simulate single semiconductor characteristics
DFT calculations of molecules and solids
Implementation of the popular molecular dynamics software suite GROMACS
Given a model, input data for some paramaters and output data, calibrate unknown input parameters
The Nanosphere Electrostatics Lab empowers users to simulate the self-assembly of ions near a spherically shaped nanoparticle, and extract the effective electrostatic properties.
Poisson Schrödinger Solver for 1D Heterostructures
A simple linux tool
BioSensorLab is a tool to evaluate and predict the performance parameters of Biosensors.
Simulate Nanowire/UTB FETs Using KP method
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
testing contribtool again
Parallel Molecular Dynamics (MD) code that models surfactant structures in water and at liquid/solid interfaces.
A framework for uncertainty quantification, sensitivity analysis and parameter sweeps.
Python-based libraries for the calculation of phase diagrams and thermodynamic properties
ab initio electronic transport model to calculate low-field electrical mobility and Seebeck coefficient of semiconductors in Boltzmann transport framework.
Compute the charge density distribution and potential variation inside a MOS structure
Basic Ensemble Monte Carlo code for study of electron transport in bulk GaAs