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Modeling & computational material science

News and Updates

NIST AI System Discovers New Material

When the words “artificial intelligence” (AI) come to mind, your first thoughts may be of super-smart computers, or robots that perform tasks without needing

Projects and Programs

JARVIS-ML

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

Publications

The anisotropy in the optical constants of quartz crystals for soft X-rays

Author(s)
Anna Andrle, Phillipp H?nicke, John T. Vinson, Richard Quintanilha, Qais Saadeh, Sebastian Heidenreich, Frank Scholze, Victor Soltwisch
The refractive index of a y-cut SiO2 crystal surface is reconstructed from orientation-dependent soft X-ray reflectometry measurements in the energy range from

Software

RMCPROFILE

RMCProfile is a free software package (developed as a collaborative effort between scientists at several institutions including NIST), that can fit

NANOP

This software package implements functions to simulate spherical, ellipsoid and cubic polyatomic nanoparticles with arbitrary crystal structures and to