Patents by Inventor Todd J. Martinez

Todd J. Martinez has filed for patents to protect the following inventions. This listing includes patent applications that are pending as well as patents that have already been granted by the United States Patent and Trademark Office (USPTO).

  • Quantum chemistry simulations using optimization methods
    Patent number: 8301390
    Abstract: Embodiments of the present invention provide, among other things, methods, apparatus, and systems for tuning a semiempirical process for predicting energy for different molecular configurations. In an example method, an energy value and an energy gradient are determined for each of a plurality of molecular configurations using an accurate method. A functional form of the semiempirical process is optimized using the determined energy values and energy gradients via multiobjective optimization. The functional form relates one or more parameters to energy values and energy gradients.
    Type: Grant
    Filed: January 31, 2008
    Date of Patent: October 30, 2012
    Assignee: The Board of Trustees of the University of Illinois
    Inventors: Kumara Sastry, Duane D. Johnson, Alexis L. Thompson, Todd J. Martinez, David E. Goldberg
  • Quantum chemistry simulations using optimization methods
    Publication number: 20080312895
    Abstract: Embodiments of the present invention provide, among other things, methods, apparatus, and systems for tuning a semiempirical process for predicting energy for different molecular configurations. In an example method, an energy value and an energy gradient are determined for each of a plurality of molecular configurations using an accurate method. A functional form of the semiempirical process is optimized using the determined energy values and energy gradients via multiobjective optimization. The functional form relates one or more parameters to energy values and energy gradients.
    Type: Application
    Filed: January 31, 2008
    Publication date: December 18, 2008
    Inventors: Kumara Sastry, Duane D. Johnson, Alexis L. Thompson, Todd J. Martinez, David E. Goldberg