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33 results found

Source of the Refl1d program for modeling and analyzing neutron and X-ray reflectometry data, with the addition of distributed roughness capability.

Data provided by  National Institute of Standards and Technology

Source of the Refl1d program for modeling and analyzing neutron and X-ray reflectometry data, with the addition of distributed roughness capability.

Tags: neutron scattering,reflectometry,polarized,Bayesian,roughness,python,

Modified: 2024-02-22

Views: 0

FEASST: Free Energy and Advanced Sampling Simulation Toolkit

Data provided by  National Institute of Standards and Technology

The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo and molecular dynamics methods. It is a software written in C++ and python which is made publicly available to aid in reproducibility. It is also provided as a service to the scientific community in which there are few , if any, Monte Carlo programs that support flat histogram methods and advanced sampling algorithms. This software is expected to be updated frequently with new methods.

Tags: monte carlo,molecular simulation,free energy,flat histogram,C++,python,

Modified: 2024-02-22

Views: 0

JARVIS: Joint Automated Repository for Various Integrated Simulations

Data provided by  National Institute of Standards and Technology

JARVIS (Joint Automated Repository for Various Integrated Simulations) is a repository designed to automate materials discovery using classical force-field, density functional theory, machine learning calculations and experiments.

The Force-field section of JARVIS (JARVIS-FF) consists of thousands of automated LAMMPS based force-field calculations on DFT geometries. Some of the properties included in JARVIS-FF are energetics, elastic constants, surface energies, defect formations energies and phonon frequencies of materials.

Tags: Density functional theory,classical interatomic potential,force-field,python,JARVIS,MGI,MDCS,RESTAPI,automation,

Modified: 2024-02-22

Views: 0

Certified values of iodine in CRMs of food matrices in mg/kg units. The uncertainties are expanded uncertainties at approximately 95% confidence.

Data provided by  National Institute of Standards and Technology

A comparison of the expanded uncertainty for certified values of iodine in food matrix CRMs. The CRMS were found by searching The European Virtual Institute for Speciation Analysis (EVISA) database using the terms "Iodine" and "Certified" in the Material category. The uncertainties are expanded uncertainties at approximately 95% confidence.

Tags: food,nutrition,dietary supplements,Standard Reference materials,reference materials,SRM,RM,Food and Nutrition,

Modified: 2024-02-22

Views: 0

SRM 1953 Organic Contaminants in Non-Fortified Human Milk

Data provided by  National Institute of Standards and Technology

SRM 1953 Organic Contaminants in Non-Fortified Human Milk - This Standard Reference Material (SRM) is intended for use in evaluating analytical methods for the determination of selected polychlorinated biphenyl (PCB) congeners, chlorinated pesticides, polybrominated diphenyl ether (PBDE) congeners, and elements in human milk and similar matrices. Reference concentration values are provided for polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs), as well as some inorganic constituents.

Tags: environment,Standard Reference materials,reference materials,SRM,RM,Environment and Climate,

Modified: 2024-02-22

Views: 0

SRM 3262 St. John's Wort (Hypericum perforatum L.) Aerial Parts

Data provided by  National Institute of Standards and Technology

SRM 3262 St. John's Wort (Hypericum perforatum L.) Aerial Parts - This Standard Reference Material (SRM) is intended primarily for use in validating analytical methods for the determination of chlorogenic acid, flavonoids, naphthodianthrones, and toxic elements in Hypericum perforatum L. and similar materials. This data is public in the Certificate of Analysis for this material.

Tags: Standard Reference materials,SRM,SRM 3262,St. John's wort,nutrition,dietary supplements,certified value,reference value,Food and Nutrition,

Modified: 2024-02-22

Views: 0

SRM 3264 St. John's Wort (Hypericum perforatum L.) Methanol Extract

Data provided by  National Institute of Standards and Technology

SRM 3264 St. John's Wort (Hypericum perforatum L.) Methanol Extract - This Standard Reference Material (SRM) is intended primarily for use in validating analytical methods for the determination of chlorogenic acid, flavonoids, naphthodianthrones, and toxic elements in methanol extracts of Hypericum perforatum L. and similar materials. This data is public in the Certificate of Analysis for this material.

Tags: Standard Reference materials,SRM,SRM 3264,St. John's wort,nutrition,dietary supplements,certified value,reference value,Food and Nutrition,

Modified: 2024-02-22

Views: 0

SRM 3281 Cranberry (Fruit)

Data provided by  National Institute of Standards and Technology

SRM 3281 Cranberry (Fruit) - This Standard Reference Material (SRM) is intended primarily for use in validating analytical methods for the determination of organic acids in the fruit of cranberries and similar matrices. This SRM can also be used for quality assurance when assigning values to in-house control materials. This data is public in the Certificate of Analysis for this material.

Tags: Standard Reference materials,SRM,SRM 3281,Cranberry,food,nutrition,dietary supplement,anthocyanin,certified value,reference value,Food and Nutrition,

Modified: 2024-02-22

Views: 0

SRM 3282 Low-Calorie Cranberry Juice Cocktail

Data provided by  National Institute of Standards and Technology

SRM 3282 Low-Calorie Cranberry Juice Cocktail. This Standard Reference Material (SRM) is intended primarily for use in validating analytical methods for the determination of organic acids and nutrient elements in cranberry juice cocktails and similar matrices. This SRM can also be used for quality assurance when assigning values to in-house control materials. A unit of SRM 3282 consists of five ampoules, each containing approximately 1.2 mL of material. This data is public in the Certificate of Analysis for this material.

Tags: Standard Reference materials,SRM,SRM 3282,cranberry juice,juice,food,nutrition,anthocyanin,certified value,reference value,Food and Nutrition,

Modified: 2024-02-22

Views: 0

SRM 3287 Blueberry (Fruit)

Data provided by  National Institute of Standards and Technology

SRM 3287 Blueberry (Fruit). This Standard Reference Material (SRM) is intended primarily for use in validating analytical methods for the determination of organic acids and nutrients in blueberries and similar materials. This SRM can also be used for quality assurance when assigning values to in-house control materials. A unit of SRM 3287 consists of five packets, each containing approximately 5 g of freeze-dried, powdered fruit. This data is public in the Certificate of Analysis for this material.

Tags: Standard Reference materials,SRM,SRM 3287,blueberry,food,nutrition,dietary supplement,anthocyanin,certified value,reference value,Food and Nutrition,

Modified: 2024-02-22

Views: 0