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Q-CHEM INC

Company Information
Address
1226 VINE ST
MC KEES ROCKS, PA 15136-2957
United States


https://www.q-chem.com

Information

UEI: MXPESVR9KFE7

# of Employees: 8


Ownership Information

HUBZone Owned: No

Socially and Economically Disadvantaged: No

Woman Owned: No



Award Charts




Award Listing

  1. 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 National Institutes of Health
  2. 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 ...

    SBIRPhase II2009Department of Health and Human Services National Institutes of Health
  3. Density Functional Theory for van der Waals Interactions

    Amount: $103,249.00

    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 I2008Department of Health and Human Services National Institutes of Health
  4. Efficient Implementation of A New and Accurate DFT Method

    Amount: $104,313.00

    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 I2007Department of Health and Human Services National Institutes of Health
  5. Faster quantum chemistry calculations with dual basis sets

    Amount: $402,761.00

    DESCRIPTION (provided by applicant): Electronic structure methods permit the computational modeling of biomolecular systems from first principles of quantum mechanics without any experimental input or ...

    SBIRPhase II2007Department of Health and Human Services National Institutes of Health
  6. New Numerical Solutions for Density Functional Theory

    Amount: $657,867.00

    DESCRIPTION (provided by applicant): First principle (ab initio) quantum chemistry methods are widely used for computational studies in biology, chemistry and material science. Among the various quant ...

    SBIRPhase II2006Department of Health and Human Services National Institutes of Health
  7. Quantum Computation with Effective Fragment Potential

    Amount: $63,350.00

    DESCRIPTION (provided by applicant): This Phase I proposal seeks support for implementing effective fragment potential (EFP) method [J. Phys. Chem. A, v.105 p.293 (2001)] in the Q-Chem electronic stru ...

    SBIRPhase I2006Department of Health and Human Services National Institutes of Health
  8. New Parallel Correlated Electron Structure Algorithms

    Amount: $771,650.00

    DESCRIPTION (provided by applicant): This proposal aims to significantly enhance existing electronic structure methods appropriate for modeling biological systems. Electronic structure methods perm ...

    SBIRPhase II2005Department of Health and Human Services National Institutes of Health
  9. Ab-Initio Geometry Optimization of Large Molecules

    Amount: $779,450.00

    DESCRIPTION (provided by applicant): Density-Functional Theory (DFT) is highly desirable for modeling biomolecules due to its accuracy. While DFT calculations of the energy are now common for large mo ...

    SBIRPhase II2005Department of Health and Human Services National Institutes of Health
  10. New Numerical Solutions for Density Functional Theory

    Amount: $107,366.00

    DESCRIPTION (provided by applicant): First principle (ab initio) quantum chemistry methods are widely used for computational studies in biology, chemistry and material science. Among the various quant ...

    SBIRPhase I2005Department of Health and Human Services National Institutes of Health
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