Method and apparatus for quantum mechanical analysis of molecular systems
First Claim
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1. An accelerator for performing quantum mechanical energy calculations for a molecular system, comprising:
- memory means for storing atomic data for the molecular system including atom type and three-dimensional coordinates for each atom in the molecular system;
processing means coupled to the memory means, the processing means being a single integrated circuit having programmable logic programmed to calculate the quantum mechanical energy of the molecular system.
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Abstract
Methods and apparatus for analyzing molecular systems with reconfigurable special-purpose hardware or an ASIC is provided. The present invention provides methods and apparatus to perform a quantum mechanical calculation on a programmable logic device (PLD) integrated circuit (IC) (“single-chip”) or an application specific integrated circuit (ASIC).
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Citations
20 Claims
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1. An accelerator for performing quantum mechanical energy calculations for a molecular system, comprising:
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memory means for storing atomic data for the molecular system including atom type and three-dimensional coordinates for each atom in the molecular system;
processing means coupled to the memory means, the processing means being a single integrated circuit having programmable logic programmed to calculate the quantum mechanical energy of the molecular system. - View Dependent Claims (2, 3, 4, 5, 6, 7, 8, 9, 10)
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11. A method for quantum mechanical energy calculation for a molecular system on a single programmable logic device, the method comprising:
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configuring the single programmable logic device for a first portion of the calculation;
performing the first portion of the calculation on the single programmable logic device; and
reconfiguring the single programmable logic device for a second portion of the calculation. - View Dependent Claims (12, 13, 14)
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- 15. An apparatus comprising a single chip configured to calculate a quantum mechanical molecular system interaction.
- 19. An apparatus comprising a single chip configured to calculate a molecular system interaction by reconfiguring the single chip for different parts of the quantum mechanical calculation.
Specification