Schrodinger and Wavefunction jointly announce the release of Titan, which seamlessly integrates the high performance computations of Jaguar and the visualization and ease-of-use of Spartan.

Titan allows any chemist to:

• Construct complex organic, organometallic and inorganic molecules. Obtain transition states from an extensive reaction database.
• Perform calculations with a wide range of computational methods including molecular mechanics, semi-empirical methods, Hartree-Fock, DFT, and LMP2. Pseudospectral techniques make Titan 2-4 times faster than conventional programs for Hartree-Fock and density functional calculations and 1-2 orders of magnitude faster for LMP2 calculations (when compared to conventional MP2 calculations).
• Display multiple model styles. Calculate properties, volumes and surface areas. Present dramatic 3D isosurface and 2D slice displays of electronic properties. Organize and analyze results in a spreadsheet.
• Drive coordinates to simulate chemical reactions, search conformation space, determine equilibrium and transition-state geometries, and evaluate normal-mode vibrational frequencies.