Software Title Tags

Gaussian predicts the energies, molecular structures, vibrational frequencies and molecular properties of compounds and reactions in a wide variety of chemical environments. Gaussian's models can be applied to both stable species and compounds which are difficult or impossible to observe experimentally. With Gaussian, you can thoroughly investigate the chemical problems that interest you. You can minimize molecular structures rapidly and reliably, you can also predict the structures of transition states, and verify that the predicted stationary points are in fact minima or transition structure (as appropriate). You can go on to compute the reaction path by following the intrinsic reaction coordinate (IRC) and determine which reactants and products are connected by a given transition structure. Once you have a complete picture of the potential energy surface, reaction energies and barriers can be accurately predicted. You can also predict a wide variety of chemical properties.

ProModel is a discrete event simulation and predictive analytics tool, helping provide clarity for your most complex decisions. Accelerate your systems performance while reducing risk with ProModel.

Anaconda Distribution (formerly Anaconda Individual Edition) is a collection of scientific Python packages, tools, resources, and IDEs used for large-scale data processing, predictive analytics, and scientific computing. 

Wolfram Mathematica is a software system with built-in functions for several areas of technical computing that allow machine learning, statistics, symbolic computation, manipulating matrices, plotting functions and various types of data, implementation of algorithms, creation of user interfaces, and interfacing with programs written in other programming languages.

New for February 2025: The Mathematica Code Assistant can now be integrated with the U-M GPT Toolkit. Visit this U-M Generative AI Use Case for benefits and instructions.