Materials Studio User Interface to Gaussian

The Materials Studio^® User Interface to Gaussian^® brings the power and versatility of Gaussian 03 to the Materials Studio modeling environment. Gaussian has long been a leader in ab initio modeling, providing a range of powerful methods that include the most accurate quantum mechanical predictive methods available. These methods can predict energies, structures, and a host of electronic, optical and magnetic properties for molecules and solids

Why Access Gaussian from Materials Studio?

Access methods in Gaussian via the easy-to-use Materials Studio interface. Long gone are the days of typing Cartesian coordinates and input options into a text file. The UI lets you:

• Build molecules crystals, surfaces, polymers or nanoclusters
• Select run options and generate files with a few mouse clicks from intuitive Windows dialogs
• Submit jobs to any server on your network and get results returned to your PC
• Display structures, molecular orbitals and more in the Materials Visualizer

Multi-Method Modeling Workflows

As a fully-integrated component within the Materials Studio modeling and simulation environment, Gaussian-computed properties can be exchanged with all other Materials Studio applications. Imagine using Gaussian to compute atomic charges, and assigning these to your force field for polymorph prediction. Select from the continuum of methods to find the ideal combination of cost and accuracy for your modeling needs, including Force fields, semiempirical, DFT, electron-correlated methods.