Materials Studio

Software Summary

Mesabi

Default Module: 

7.0

Other Modules Available: 

6.1, 7.0, 2016, 2017, 2018, 2022, 8.0

Last Updated On: 

Tuesday, August 29, 2023

Mesabi K40

Default Module: 
Other Modules Available: 
Last Updated On: 

Mangi

Default Module: 
7.0
Other Modules Available: 

6.1, 7.0, 2016, 2017, 2018, 2022, 8.0

Last Updated On: 

Tuesday, August 29, 2023

Mangi v100

Default Module: 
Other Modules Available: 
Last Updated On: 

NICE

Default Module: 
Other Versions Available: 
Last Updated On: 
Last Updated On: 

Tuesday, August 29, 2023

Support Level: 
Secondary Support
Software Access Level: 
RESTRICTED - Contact Helpdesk
Home Page: 
Link
Software Categories: 
Material Science
Drug Discovery
Software Description

MS Modeling is Materials Studio's modeling and simulation product suite, and is designed for structural and computational researchers in chemicals and materials R&D who need to perform expert-level modeling and simulations tasks in an easy to learn yet powerful environment. It provides flexible and validated tools for the study of materials at various length and time scales. MS Modeling is Materials Studio's modeling and simulation product suite, and is designed for structural and computational researchers in chemicals and materials R&D who need to perform expert-level modeling and simulations tasks in an easy to learn yet powerful environment. It provides flexible and validated tools for the study of materials at various length and time scales.

To use Materials Studio you must be on the Materials Studio user list. Contact MSI Help, help@msi.umn.edu, to be added to the Materials Studio user list. We have only one Materials Studio license (see Licensing Info section for more details). 

If you are found to be using Materials Studio during a time when you are not scheduled, your job is subject to being killed.

The following modules are available to MSI researchers:

Package Concurrent Users Description (from the Accelrys, Inc. web site)
MS Visualizer 1 MS Visualizer - the core MS Modeling product, provides all of the tools that are required to construct graphical models of molecules, crystalline materials, and polymers. Additionally, the Visualizer lets you view and analyze these models and provides the software infrastructure and analysis tools to support the full range of Materials Studio products.
Amorphous Cell 1 Model construction and property prediction for amorphous materials particularly polymers.
CASTEP 1 Uses density functional theory to provide a good atomic-level description of all manner of materials and molecules.
Compass 1 A powerful molecular mechanics force field supporting simulations of solid materials.
Discover 1 molecular mechanics and dynamics methods for structure and property prediction.
Dmol 1 DMol3 - a unique density functional theory quantum mechanical code for gas phase, solvent, and solid state simulations.
Forcite 1 An advanced classical molecular mechanics tool, which allows fast energy calculations and reliable geometry optimization of molecules and periodic systems.
Polymorph Predictor 1 Polymorph Predictor - for the prediction of potential polymorphs of a given compound directly from the molecular structure.
Reflex 1 Reflex - powder diffraction simulation enhanced with indexing and refinement capabilities.
X-Cell 1 X-Cell - a novel and robust indexing program for medium- to high-quality powder diffraction data obtained from X-ray, neutron, and electron radiation sources.

For more information, see http://accelrys.com/products/materials-studio/.

Software Documentation

Software Documentation Tabs