Kabushiki kaisha toshiba (20240096452). MOLECULAR STRUCTURE OPTIMIZATION SYSTEM, MOLECULAR STRUCTURE OPTIMIZATION METHOD, AND PARAMETERIZED QUANTUM CIRCUIT simplified abstract
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 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 20240096452 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 quantum computer calculates a loss function using a parameterized quantum circuit, while the classical computer updates the circuit and coordinate parameters based on the loss function to determine the optimum values for both parameters.
- Quantum computer and classical computer work together to optimize molecular structure
- Quantum computer uses parameterized quantum circuit to calculate loss function
- Classical computer updates circuit and coordinate parameters based on loss function
- Determines optimum values for circuit and coordinate parameters
Potential Applications
The technology can 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, which can be time-consuming and computationally intensive using traditional methods.
Benefits
The system offers faster and more accurate optimization of molecular structures, leading to potential advancements in various scientific fields.
Potential Commercial Applications
The technology can be commercialized for use in pharmaceutical companies, research institutions, and chemical manufacturing companies for molecular structure optimization.
Possible Prior Art
Prior art may include traditional methods of molecular structure optimization using classical computers and algorithms, which may not be as efficient or accurate as the proposed quantum-classical system.
Unanswered Questions
How does the system handle large and complex molecules in terms of computational resources and efficiency?
The article does not provide specific details on how the system deals with large and complex molecules in terms of computational resources and efficiency. Further information on the scalability of the system would be helpful.
What are the potential limitations or challenges of integrating quantum and classical computing for molecular structure optimization?
The article does not address any potential limitations or challenges that may arise from integrating quantum and classical computing for molecular structure optimization. Understanding the drawbacks of the system would provide a more comprehensive view of its capabilities.
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.
