Millsian

Millsian is a molecular modelling and computational chemistry application from Millsian, Inc.

Features
Millsian has a drag-and-drop graphic user interface.

Claims
Millsian, Inc. makes the following claims for its software.
*The functional groups of all major classes of chemical bonding, including those involved in most organic molecules, have been solved exactly in closed-form solutions. By using these functional groups as building blocks, or independent units, a potentially infinite number of molecules can be solved. As a result, Millsian software can visualize the exact three-dimensional structure and calculate physical characteristics of almost any molecule of any length and complexity. While previous software based on traditional quantum methods resorted to approximations and required super computers for even simple systems, Millsian software requires no special expertise to solve complex proteins and DNA on a personal computer.

*Millsian can render "true molecular structures providing precise bonding characteristics, spatial and temporal charge distributions, and energies of every electron in every bond and bonding atom, facilitating the identification of biologically active sites in drugs; and facilitating drug design. The Company believes that this represents a major breakthrough in material science that has the potential to impact nearly all businesses involved in drug development and chemistry."

*Millsian software can visualize the exact 3D structure, calculate the total bond energy and the heat of formation of almost any organic molecule in real time without resorting to complex computational algorithms or supercomputers.

Performance comparison with Spartan
On October 13, 2008, Millsian, Inc. released a paper titled "Total Bond Energies of Exact Classical Solutions of Molecules Generated by Millsian 1.0 Compared to Those Computed Using Modern 3-21G and 6-31G* Basis Sets." The abstract of this paper states that
:The energies of exact classical solutions of molecules generated by Millsian 1.0 and those from a modern quantum mechanics-base program, Spartan's precomputed database using 3-21G and 6-31G* basis sets at the Hartree-Fock level of theory, were compared to experimental values. The Millsian results were consistently within an average reletaive deviation of about 0.1% of the experimental values. In contrast, the 3-21G and 6-31G* results deviated over a wide range of relative error, typically being >30-150% with a large percentage of catastrophic failures, depending on functional group type and basis set.

An extensive amount of data purporting to support this claim is found on pages 67 - 81 of the paper.

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