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"density functional theory calculations"×
National Renewable Energy Laboratory (NREL)×

Heterostructural Rocksalt-Wurtzite Interfaces

Data and code accompanying the following publication: Sharad Mahatara and Stephan Lany, "Heterostructural interface engineering for ultrawide gap nitrides from first principles: TaC/AlN and TaC/GaN rocksalt-wurtzite interfaces," Physical Review Applied 22, 054044 (2024). https://...
Mahatara and LanyNational Renewable Energy Laboratory
Oct 23, 2024
4 Resources
0 Stars
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Organic Photovoltaic (OPV) Database

A database of quantum mechanical calculations on organic photovoltaic candidate molecules. Related Publications: Peter C. St. John, Caleb Phillips, Travis W. Kemper, A. Nolan Wilson, Michael F. Crowley, Mark R. Nimlos, Ross E. Larsen. (2018) Message-passing neural networ...
St. JohnNational Renewable Energy Laboratory
Apr 10, 2024
8 Resources
0 Stars
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Gearbox Reliability Collaborative Phase 3 Gearbox 3 Test

The GRC uses a combined gearbox testing, modeling, and analysis approach disseminating data and results to the industry and facilitating improvement of gearbox reliability. This test data describes the tests of GRC gearbox 3 in the National Wind Technology Center dynamometer and d...
Keller and WallenNational Renewable Energy Laboratory
Dec 21, 2016
18 Resources
0 Stars
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Deep Green Unannotated Protein Structures

The Deep Green list is based on the identification and curation of conserved unannotated proteins in three green lineage (Viridiplantae) model organisms; Arabidopsis thaliana, Chlamydomonas reinhardtii, and Setaria viridis. Preliminary characterization of Deep Green proteins and g...
Knoshaug. . et al National Renewable Energy Laboratory
Apr 20, 2023
4 Resources
0 Stars
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Topology-Based Machine-Learning for Modeling Power-System Responses to Contingencies

This is the companion dataset to the presentation NREL/PR-6A20-77485, which was presented at the 2020 Joint Statistical Meeting on August 3, 2020. Developed for the machine-learning predictive modeling of power-system responses to disruptions, it contains results of power-system c...
BushNational Renewable Energy Laboratory
Aug 01, 2020
2 Resources
0 Stars
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A National Thermal Generator Performance Database

This submission contains cleaned and filtered data from the Environmental Protection Agency Clean Air Markets CAM database of thermal power plant operation and performance.
Rossol. . et al National Renewable Energy Laboratory
Dec 05, 2018
22 Resources
0 Stars
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Data for "Arsenic Activation and Compensation in Single Crystal CdTe Bilayers"

Mathew. . et al National Renewable Energy Laboratory
Dec 23, 2024
37 Resources
0 Stars
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Workbooks for Cambium 2024 Data

These workbooks contain a subset of cost and emissions data from the 2024 Cambium datasets, with levelization calculations to assist users in translating Cambium’s year-over-year values to a representative value for a user-specified project timeline. These workbooks provide...
GagnonNational Renewable Energy Laboratory
Apr 22, 2025
2 Resources
0 Stars
Publicly accessible