Average Ratings 0 Ratings
Average Ratings 0 Ratings
Description
GROMACS is an open-source software suite that excels in high-performance molecular dynamics and analysis of outputs. This adaptable tool is capable of simulating the Newtonian equations of motion for systems ranging from hundreds to millions of particles, emphasizing materials modeling, biomolecular simulations, and particle-based systems. Although GROMACS is primarily aimed at biochemical molecules like proteins, lipids, and nucleic acids—which often exhibit complex bonded interactions—its remarkable speed in computing nonbonded interactions renders it beneficial for studying non-biological systems, including polymers. The software is capable of modeling particle ensembles in various states, including liquid, solid, and gas, and it accommodates a diverse array of molecular dynamics workflows, from fundamental energy minimization and equilibration to in-depth production simulations and trajectory analysis. Furthermore, GROMACS continues to evolve, incorporating new features and enhancements that broaden its applicability across different scientific disciplines.
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
No
API Access
Has API
No
Integrations
Python
No
Pricing Details
Free
Free Trial
No
Free Version
Yes
Pricing Details
Free
Free Trial
No
Free Version
Yes
Deployment
Web-Based
No
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
Yes
Mac
Yes
Linux
Yes
Chromebook
No
Deployment
Web-Based
No
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
Yes
Mac
Yes
Linux
Yes
Chromebook
No
Customer Support
Business Hours
No
Live Rep (24/7)
No
Online Support
Yes
Customer Support
Business Hours
Yes
Live Rep (24/7)
No
Online Support
Yes
Types of Training
Training Docs
Yes
Webinars
Yes
Live Training (Online)
No
In Person
No
Types of Training
Training Docs
Yes
Webinars
No
Live Training (Online)
No
In Person
No
Vendor Details
Company Name
GROMACS
Country
United States
Website
www.gromacs.org
Vendor Details
Company Name
National Energy Technology Laboratory
Country
United States
Website
mfix.netl.doe.gov/products/mfix/