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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
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
pyPRISM: A Computational Tool for Liquid State Theory Calculations of Macromolecular Materials
Data provided by National Institute of Standards and Technology
Polymer Reference Interaction Site Model (PRISM) theory describes the equilibrium spatial-correlations of liquid-like polymer systems including melts, blends, solutions, block copolymers, ionomers, liquid crystal forming polymers and nanocomposites. Using PRISM theory, one can calculate thermodynamic (e.g., second virial coefficients, Flory-Huggins interaction parameters, potentials of mean force) and structural (eg., pair correlation functions, structure factors) information for these macromolecular materials.
Tags: polymer,theory,liquid-state theory,python,polymer nanocomposite,polymer solution,X-ray scattering,neutron scattering,software,tool,computation,
Modified: 2024-02-22
Views: 0
pyLLE: a Fast and User Friendly Lugiato-Lefever Equation Solver
Data provided by National Institute of Standards and Technology
We present the development of pyLLE, a freely accessible Lugiato-Lefever equation solver programmed in Python and Julia and optimized for the simulation of microresonator frequency combs. Examples illustrating its operation and performance are presented.
Tags: photonics,optics,frequency combs,python,julia,
Modified: 2024-02-22
Views: 0
FY 2013 EDA Annual Report
Data provided by Economic Development Administration
The Economic Development Administration's annual report to Congress documenting EDA's efforts to fulfil its mission of leading the federal economic development agenda in the fiscal year 2013
Tags: annual report,2013,economic development,
Modified: 2024-02-22
Views: 0
FY 2014 EDA Annual Report
Data provided by Economic Development Administration
The Economic Development Administration's annual report to Congress documenting EDA's efforts to fulfil its mission of leading the federal economic development agenda in the fiscal year 2014
Tags: annual report,2014,economic development,
Modified: 2024-02-22
Views: 0
FY 2015 EDA Annual Report
Data provided by Economic Development Administration
The Economic Development Administration's annual report to Congress documenting EDA's efforts to fulfil its mission of leading the federal economic development agenda in the fiscal year 2015
Tags: annual report,2015,economic development,
Modified: 2024-02-22
Views: 0
FY 2016 EDA Annual Report
Data provided by Economic Development Administration
The Economic Development Administration's annual report to Congress documenting EDA's efforts to fulfil its mission of leading the federal economic development agenda in the fiscal year 2016
Tags: annual report,2016,economic development,
Modified: 2024-02-22
Views: 0
FY 2017 EDA Annual Report
Data provided by Economic Development Administration
The Economic Development Administration's annual report to Congress documenting EDA's efforts to fulfil its mission of leading the federal economic development agenda in the fiscal year 2017
Tags: annual report,2017,economic development,
Modified: 2024-02-22
Views: 0
FY 2017 EDA Annual Report
Data provided by Economic Development Administration
The Economic Development Administration's annual report to Congress documenting EDA's efforts to fulfil its mission of leading the federal economic development agenda in the fiscal year 2017
Tags: annual report,2018,economic development,
Modified: 2024-02-22
Views: 0