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Projects/Programs

Displaying 1 - 22 of 22

Characterization of 3D Photovoltaics

Completed
Our goal is to provide industry with test structures and models of next-generation photovoltaics, with an initial focus on cadmium telluride (CdTe) and CuInxGa1

DFT Repositories and Informatics

Ongoing
Reproducibility and reuse play fundamental roles in the development of science. With the growth of computational power and tools, simulated experiments have

JARVIS-ML

Ongoing
JARVIS-ML is a repository of machine learning (ML) model parameters, descriptors, and ML related input and target data. JARVIS-ML is a part of the NIST-JARVIS

Materials Informatics

Ongoing
The Materials Genome Initiative will create a new era of materials innovation that will serve as a foundation for strengthening domestic industries in these

Multiscale MD-FEM Methodology

Completed
MSED is developing methods to statically couple finite element modeling (FEM) to atomistic molecular dynamics (MD)1. Compared to non-hybrid approaches, this

Scientific Workflow

Ongoing
The ubiquity of computers has profoundly influenced science. Sophisticated software tools and easy access to high-performance computing promises to be a

Simulation Management Tools

Ongoing
An important part of the MGI effort is providing infrastructure and tools to enable reproducible research in computational materials science. For reproducible