Q-CHEM, INC.

Company Information
Address 6601 Owens Drive, Suite 105
PLEASANTON, CA, 94588-3369

http://www.q-chem.com

Information

DUNS: 837635556

# of Employees: 4


Ownership Information

HUBZone Owned: N

Socially and Economically Disadvantaged: N

Woman Owned: N



Award Charts




Award Listing

  1. Accurate and efficient density functional theory calculations of intermolecular interactions and conformational energies

    Amount: $141,869.00

    Project summary Key biophysical properties such as drug binding sites and enzyme catalysis arise can be computer modeled using quantum mechanics but limitations in the accuracy of practical quantum m ...

    SBIRPhase I2017Department of Health and Human Services National Institutes of Health
  2. Parallel Two-Electron Reduced Density Matrix Based Electronic Structure Software for Highly Correlated Molecules and Materials

    Amount: $495,770.00

    Variational two-electron reduced-density-matrix (v2RDM) methods can provide a reference-independent description of the electronic structure of many-electron systems that naturally captures multirefere ...

    STTRPhase II2016Department of Defense Army
  3. 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 ...

    SBIRPhase II2015Department of Energy
  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 ...

    STTRPhase I2014Army 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 ...

    SBIRPhase II2014Department of Health and Human Services National Institutes of Health
  6. 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 ...

    SBIRPhase I2014Department of Energy
  7. 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 ...

    SBIRPhase I2011Department of Health and Human Services
  8. 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 ...

    SBIRPhase II2010Department of Health and Human Services
  9. 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 ...

    SBIRPhase II2010Department of Health and Human Services
  10. 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 ...

    SBIRPhase I2009Department of Health and Human Services

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