Q-CHEM, INC.

Basic Information

6601 Owens Drive, Suite 105
PLEASANTON, CA, 94588-3369

http://www.q-chem.com

Company Profile

n/a

Additional Details

Field Value
DUNS: 837635556
Hubzone Owned: N
Socially and Economically Disadvantaged: N
Woman Owned: N
Number of Employees: 4


  1. Integrated Web User Interface for Multi-Scale Chemical Physics Simulations

    Amount: $993,470.00

    In the last couple of decades, simulation and modeling methodologies have advanced considerably in academic laboratories, but wide availability of these new capabilities has lagged significantly, espe ...

    SBIR Phase II 2015 Department of Energy
  2. Integrated Web User Interface for Multi-Scale Chemical Physics Simulations

    Amount: $149,987.00

    Q-Chem, Inc. is submitting a DOE SBIR Phase I project (topic 9a), titled the Development of an Integrated Web User Interface for Multiscale Chemical-Physics Simulations, with Dr. Yihan Shao serving as ...

    SBIR Phase I 2014 Department of Energy
  3. Efficient double hybrid density functional theory algorithms for conformational a

    Amount: $936,796.00

    DESCRIPTION (provided by applicant): Q-Chem is a state-of-the-art commercial computational quantum chemistry program that has aided tens of thousands users in their modeling of molecular processes in ...

    SBIR Phase II 2014 Department of Health and Human Services
  4. Parallel Two-Electron Reduced Density Matrix Based Electronic Structure Software for Highly Correlated Molecules and Materials

    Amount: $149,462.00

    By eliminating the wave function as the central variable in quantum chemistry, variational two-electron reduced-density-matrix (2-RDM) methods offer the potential to revolutionize the computational de ...

    STTR Phase I 2014 Army Department of Defense
  5. Efficient double hybrid density functional theory algorithms for conformational a

    Amount: $936,796.00

    DESCRIPTION provided by applicant Q Chem is a state of the art commercial computational quantum chemistry program that has aided tens of thousands users in their modeling of molecular processes in ...

    SBIR Phase II 2014 Department of Health and Human Services National Institutes of Health
  6. Efficient double hybrid density functional theory algorithms for conformational a

    Amount: $101,175.00

    DESCRIPTION (provided by applicant): Double hybrid (DH) density functionals are one of the most promising new developments in quantum mechanical methods for simulating biomolecules. DH functionals hav ...

    SBIR Phase I 2011 Department of Health and Human Services
  7. Efficient Implementation of A New and Accurate DFT Method

    Amount: $712,678.00

    DESCRIPTION (provided by applicant): Density functional theory (DFT) is perhaps the most widely applied quantum chemistry method in molecular simulations due to its ability to accurately and efficient ...

    SBIR Phase II 2010 Department of Health and Human Services
  8. Density Functional Theory for van der Waals Interactions

    Amount: $422,781.00

    DESCRIPTION (provided by applicant): Q-Chem is a state-of-the-art commercial quantum chemistry program that is used to model atomic and molecular processes over a wide range of disciplines, including ...

    SBIR Phase II 2010 Department of Health and Human Services
  9. Efficient and Accurate Quantum Simulation for Large Periodic Systems

    Amount: $106,502.00

    DESCRIPTION (provided by applicant): Q-Chem is a state-of-the-art commercial quantum chemistry program that is used to model molecular processes over a wide range of disciplines, including biology, ch ...

    SBIR Phase I 2009 Department of Health and Human Services
  10. Quantum Computation with Effective Fragment Potential

    Amount: $749,961.00

    DESCRIPTION (provided by applicant): This Phase II proposal seeks support for completing implementation of effective fragment potential (EFP) method [J. Phys. Chem. A, v.105 p.293 (2001)] in the Q-Che ...

    SBIR Phase II 2009 Department of Health and Human Services

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