525 Works

Bandgap Optimizer for Spectral Splitting PV Systems

Kevon Charles & Jeff Gray
simulate the optimum performance of a multi-junction solar cell

DFT calculations with Quantum ESPRESSO

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

QuaMC2D

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

Demo 1 for Geographic Data Explorer

George Howlett
Demo for geoexplorer tool

MolCToy

Magnus Paulsson, Ferdows Zahid, Supriyo Datta & Michael McLennan
Computes current-voltage (I-V) characteristics and conductance spectrum (G-V) of a molecule sandwiched between two metallic contacts

[Illinois]: Functionalization Workbench

AbderRahman Sobh & Nahil Sobh
Using molecular dynamic simulation - explore the interactions between a molecular structure and substrate when they are linked together.

[Illinois]: Perturbative Reinforcement Learning to Develop Distributed Representations

AbderRahman Sobh, Jessica Johnson & NanoBio Node
This tool trains three-layered networks of sigmoidal units to associate patterns.

MOLpull: A tool for molecular free energy reconstruction along a pulling coordinate

Lisa Felberg, Ignacio Franco, Martin McCullagh, Mark Ratner, George Schatz & Marcelo Carignano
Estimates the force required for stretching a molecule and determines the potential of mean force along the extension coordinate.

Tensile Mechanics of alpha-Helical Polypeptides

Korosh Torabi & George Schatz
This model is capable of making quantitatively accurate predictions of force-extension behavior of a given helix-forming polypeptide sequence including its dependence on pH, temperature and ionic strength.

32-digit values of the first 100 recurrence coefficients using the Bose-Einstein weight function: w(x)=[x/(e^x-1)]^4 computed by the SOPQ routine sr_boseeinstein(100,4,32)

Walter Gautschi
32-digit values of the first 100 recurrence coefficients for orthogonal polynomials using the Bose-Einstein weight function: w(x)=[x/(e^x-1)]^4 computed by the SOPQ routine sr_boseeinstein(100,4,32)

RNA-Seq Hestand et al., 2014

Jamie MacLeod Matthew Hestand

MuGFET

SungGeun Kim, Gerhard Klimeck, Sriraman Damodaran & Benjamin Haley
Simulate the nanoscale multigate-FET structures (finFET and nanowire) using drift diffusion approaches

PhotonicsRT: Wave Propagation in Multilayer Structures

Satoshi Ishii, Uday Chettiar, Xingjie Ni & Alexander Kildishev
The tool calculates the reflection, transmission and absorption of light passing through a lamellar structure with uniform isotropic layers.

Indiana Traffic Signal Hi Resolution Data Logger Enumerations

James R. Sturdevant, Timothy Overman, Eric Raamot, Ray Deer, Dave Miller, Darcy M. Bullock, Christopher M. Day, Thomas M. Brennan, Howell Li, Alex Hainen & Steve M. Remias
This document defines the enumerations used to encode events that occur on a traffic signal controllers with high resolution data loggers. The time resolution is to the nearest 100 milliseconds. Background information on the development of high resolution controller data in Indiana can be found at: Smaglik E.J., A. Sharma, D.M. Bullock, J.R. Sturdevant, and G. Duncan, “Event-Based Data Collection for Generating Actuated Controller Performance Measures," Transportation Research Record, #2035, TRB, National Research Council, Washington,...

Solar PV

Xiaohui Liu
Simulates electricity demand in communities with solar PV systems.

South Split Reconstruction Time-Lapse Composite

Steve Lavrenz, Teresa Morris, Darcy Bullock & Nathan Riggs
This time-lapse video includes highlights of the I-65/I-70 Interstate reconstruction project that took place last September–October, 2013.

32-digit values of the first 100 beta coefficients relative to the Freud weight function w(x)=exp(-x^4) computed on R by the SOPQ routine sr_freud(100,0,4,32)

Walter Gautschi
32-digit values of the first 100 beta coefficients relative to the Freud weight function w(x)=exp(-x^4) computed on R by the SOPQ routine sr_freud(100,0,4,32)

Quasicontinuum Method

Ron Miller & Ellad Tadmor
Coupled molecular statics and finite element simulation of deformation in crystalline solids

DDSCAT Discrete Dipole Approximation

AbderRahman Sobh, John Feser, Neerav Goswami, Prashant Jain, Nahil Sobh, Jacob Faucheaux & Obaid Sarvana
Calculate scattering and absorption of light by targets with arbitrary geometries and complex refractive index.

Microbeam Dynamics with Varying Force Model

Saagar Unadkat
Simulate the dynamics of microbeams with Knudsen Forces, Electrostatic and G-Forces.

Minority Carrier Diffusion Equation (MCDE) Tool

Ivan Santos & Stella Quinones
Apply the Minority Carrier Diffusion Equation (MCDE) to model excess carrier concentration as a function of time or distance.

DDSCAT Discrete Dipole Approximation

Jeremy Smith, Jacob Faucheaux, Sarah White, AbderRahman Sobh, John Feser, Prashant Jain & Nahil Sobh
Calculate scattering and absorption of light by targets with arbitrary geometries and complex refractive index.

RDF mappings between SWEET and ENVO ontologies

Line Pouchard & Michael Huhns
RDF mappings between the ENVO ontology and the SWEET2.3 ontologies created by Agreement Maker Light for the ESIP TestBed project, Evaluating the ESIP Ontologies for Ontology Matching, Summer 2014

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