18174683. MOLECULAR STRUCTURE OPTIMIZATION SYSTEM, MOLECULAR STRUCTURE OPTIMIZATION METHOD, AND PARAMETERIZED QUANTUM CIRCUIT simplified abstract (KABUSHIKI KAISHA TOSHIBA)
Contents
- 1 MOLECULAR STRUCTURE OPTIMIZATION SYSTEM, MOLECULAR STRUCTURE OPTIMIZATION METHOD, AND PARAMETERIZED QUANTUM CIRCUIT
- 1.1 Organization Name
- 1.2 Inventor(s)
- 1.3 MOLECULAR STRUCTURE OPTIMIZATION SYSTEM, MOLECULAR STRUCTURE OPTIMIZATION METHOD, AND PARAMETERIZED QUANTUM CIRCUIT - A simplified explanation of the abstract
- 1.4 Simplified Explanation
- 1.5 Potential Applications
- 1.6 Problems Solved
- 1.7 Benefits
- 1.8 Potential Commercial Applications
- 1.9 Possible Prior Art
- 1.10 Unanswered Questions
- 1.11 Original Abstract Submitted
MOLECULAR STRUCTURE OPTIMIZATION SYSTEM, MOLECULAR STRUCTURE OPTIMIZATION METHOD, AND PARAMETERIZED QUANTUM CIRCUIT
Organization Name
Inventor(s)
Yasutaka Nishida of Tama Tokyo (JP)
Fumihiko Aiga of Kawasaki Kanagawa (JP)
MOLECULAR STRUCTURE OPTIMIZATION SYSTEM, MOLECULAR STRUCTURE OPTIMIZATION METHOD, AND PARAMETERIZED QUANTUM CIRCUIT - A simplified explanation of the abstract
This abstract first appeared for US patent application 18174683 titled 'MOLECULAR STRUCTURE OPTIMIZATION SYSTEM, MOLECULAR STRUCTURE OPTIMIZATION METHOD, AND PARAMETERIZED QUANTUM CIRCUIT
Simplified Explanation
The abstract describes a molecular structure optimization system that utilizes both a quantum computer and a classical computer to optimize the structure of a target molecule.
- The system uses a parameterized quantum circuit to calculate a loss function based on the coordinate parameter of the target molecule.
- The classical computer updates the coordinate parameter and the circuit parameter based on the loss function to determine the optimum values.
- The classical computer iteratively updates the provisional values of the circuit parameter and the coordinate parameter to optimize the molecular structure.
Potential Applications
This technology could be applied in drug discovery, material science, and chemical engineering for optimizing molecular structures.
Problems Solved
This technology solves the problem of efficiently optimizing molecular structures using quantum computing techniques.
Benefits
The system offers faster and more accurate optimization of molecular structures compared to traditional methods.
Potential Commercial Applications
- Drug discovery
- Material design
- Chemical synthesis optimization
Possible Prior Art
There may be prior art related to quantum computing applications in molecular structure optimization, but specific examples are not provided in the abstract.
Unanswered Questions
How does this system compare to traditional methods of molecular structure optimization?
The article does not provide a direct comparison between this system and traditional optimization methods.
What are the limitations of using a quantum computer for molecular structure optimization?
The abstract does not address any potential limitations or challenges associated with using a quantum computer for this purpose.
Original Abstract Submitted
A molecular structure optimization system includes a quantum computer and a classical computer. The quantum computer uses a parameterized quantum circuit to calculate a loss function from a coordinate parameter of a target molecule. The classical computer updates the coordinate parameter and the circuit parameter based on the loss function, and determines optimum values of the circuit parameter and the coordinate parameter. The classical computer updates a provisional value of the circuit parameter while fixing the coordinate parameter and changing the circuit parameter. The classical computer updates a provisional value of the coordinate parameter while fixing the circuit parameter and changing the coordinate parameter.
