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Description

ESPResSo, which stands for the Extensible Simulation Package for Research on Soft Matter, is a flexible and open-source simulation tool designed for executing and analyzing molecular dynamics and Monte Carlo simulations involving multiple particles. This package serves as a comprehensive resource for modeling a diverse range of soft matter systems, with a particular focus on coarse-grained atomistic or bead-spring models that find applications in fields such as physics, chemistry, molecular biology, and engineering processes. Users can leverage ESPResSo to simulate various phenomena, including polymers, liquid crystals, colloids, polyelectrolytes, ferrofluids, gels, biological systems, DNA structures, lipid membranes, bacterial movements, and even super-capacitors. By employing coarse-grained models, where clusters of atoms or molecules are simplified into single beads, researchers can explore significantly larger time and length scales that would be unfeasible with purely atomistic approaches. Furthermore, ESPResSo enables the execution of classical molecular dynamics simulations across multiple statistical ensembles, enhancing its versatility in scientific research. This capability allows scientists to tackle complex problems in soft matter physics more efficiently and effectively.

Description

MFiX, which stands for Multiphase Flow with Interphase eXchanges, serves as an open-source solver designed for multiphase flow and is recognized as NETL’s primary suite of computational fluid dynamics tools for simulating reacting multiphase flows. It has established itself as a benchmark for the comparison, implementation, and assessment of constitutive models in multiphase flow scenarios and has been utilized across a wide variety of multiphase flow devices and industrial applications. Offering various modeling techniques, MFiX includes the Two-Fluid Model, Discrete Element Model, Coarse-Grained Particle DEM, Superquadric Particle DEM, Glued-Sphere Particle DEM, Particle-in-Cell model, hybrid approaches, and a dedicated single-phase solver tailored for granular flows. These advanced models enable the simulation of numerous systems such as gasifiers, circulating fluidized bed combustors, fluidized beds, fluid catalytic crackers, and chemical looping combustion systems, addressing complex interactions involving hydrodynamics, heat transfer, species transport, and various chemical reactions. As a result, MFiX contributes significantly to the understanding and optimization of these intricate processes in both research and industrial settings.

API Access

Has API

API Access

Has API

Screenshots View All

Screenshots View All

Integrations

Python

Integrations

Python

Pricing Details

Free
Free Trial
Free Version

Pricing Details

Free
Free Trial
Free Version

Deployment

Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook

Deployment

Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook

Customer Support

Business Hours
Live Rep (24/7)
Online Support

Customer Support

Business Hours
Live Rep (24/7)
Online Support

Types of Training

Training Docs
Webinars
Live Training (Online)
In Person

Types of Training

Training Docs
Webinars
Live Training (Online)
In Person

Vendor Details

Company Name

ESPResSo

Country

United States

Website

espressomd.org/wordpress/

Vendor Details

Company Name

National Energy Technology Laboratory

Country

United States

Website

mfix.netl.doe.gov/products/mfix/

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