ime-code.uchicago.edu
IME CODES: SSAGES and COPSSSoftware Suite for Advanced Generalized Ensemble Simulations
http://ime-code.uchicago.edu/
Software Suite for Advanced Generalized Ensemble Simulations
http://ime-code.uchicago.edu/
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IME CODES: SSAGES and COPSS | ime-code.uchicago.edu Reviews
https://ime-code.uchicago.edu
Software Suite for Advanced Generalized Ensemble Simulations
ime-code.uchicago.edu
SSAGES - Features
http://ime-code.uchicago.edu/features.html
General, extensible methods for molecular simulation. The scheme provided by the General geometry Ewald-like Method (GgEM) is a platform for multi-scale problems in physics and chemistry. Applied to hydrodynamic equations, the method solves for the proper behavior (both Brownian and Hydrodynamic) of discrete entities such as polymers, cells and colloids, in continuous fluid media. The Navier-Stokes equations are solved using a Green's function approach for long-range interactions. 5801 South Ellis Avenue.
SSAGES - Team
http://ime-code.uchicago.edu/team.html
This is Our Team. Juan J. de Pablo. Jonathan K. Whitmer. University of Notre Dame. Juan P. Hernandez-Ortiz. Uni Nacional de Colombia. Institute for Molecular Engineering. The University of Chicago. 5801 South Ellis Avenue. Chicago, Illinois 60637.
Download SSAGES and COPSS
http://ime-code.uchicago.edu/download.html
SSAGES is now hosted as a public repository on Github! Follow the link below to clone the repository and build SSAGES. Fast Multipole Boundary Element Method. Parallel Finite Element GGEM. Institute for Molecular Engineering. The University of Chicago. 5801 South Ellis Avenue. Chicago, Illinois 60637.
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Midwest Integrated Center for Computational Materials
http://www.miccom-center.org/software.html
The Center is developing methods and delivering and maintaining codes to carry out electronic structure calculations based on Density Functional Theory (DFT) and first principles molecular dynamics (FPMD) - the Qbox. Code, and to compute excited state electronic properties within many body perturbation theory (MBPT) - the WEST. Code; software to compute transport coefficients from first principles, integrated with FPMD is being built using Qbox. More about interoperability of the codes. MICCoM is support...
Midwest Integrated Center for Computational Materials
http://www.miccom-center.org/validation.html
MICCoM validation activities target two classes of systems:. 1 Systems for which well established data are available in the literature, with the following goals:. A) validate exchange-correlation functionals, excited states and transport calculations carried out at the quantum level ( Qbox. For bulk systems for which results are well established;. B) validate assembly procedures ( SSAGES. Eg reaction and interconversion pathways in colloid and nanoparticle clusters. C) validate the Qbox.
Midwest Integrated Center for Computational Materials
http://www.miccom-center.org/index.html
Midwest Integrated Center for Computational Materials. The Midwest Integrated Center for Computational Materials (MICCoM) develops and disseminates interoperable computational tools - encompassing open source software, data, simulation templates, and validation procedures - that enable the user community to simulate and predict properties of functional materials for energy conversion processes. Computational Materials Science Centers and Efforts around the world. National Strategic Computing Initiative.
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IME CODES: SSAGES and COPSS
This website hosts the software suites COPSS ( Co. Uite) and SSAGES ( S. Imulations), which augment standard molecuar dynamics and Monte-Carlo codes, permitting particle- field coupling (COPSS), and calculation of of reaction coordinates, reactive pathways and free energies (SSAGES). Each presents not only a set of methods, but also aims to provide a unified, extensible framework adaptable to generic molecular simulations. And will grow to incorporate other open-source, proprietary, and bespoke codes.
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