Abstract: Systems, computer-implemented methods, and/or computer program products to facilitate reduction of a quantum circuit are provided. A computer-implemented method can comprise performing, by a system operatively coupled to at least one processor, decomposition of an exponential of a first Pauli operator of 1 to n Pauli operators of the quantum circuit, and performing, by the system, a first Clifford transformation of a primary operator of the quantum circuit, where the primary operator can comprise a linear combination of primary Pauli operators, and where the first Clifford transformation can employ a result of the decomposition. Performing the decomposition can comprise decomposing the exponential of the first Pauli operator into a first non-Clifford operator and a first Clifford operator, with the first Clifford operator being employed for the first Clifford transformation.

Abstract: Techniques regarding determining thermodynamic observables of a chemical system are provided. For example, one or more embodiments described herein can include a system, which can comprise a memory that can store computer executable components. The system can also include a processor, operably coupled to the memory, and that can execute the computer executable components stored in the memory. The computer executable components can include a potential energy component that can fit a potential energy function to a computed potential energy surface of a molecule. The computer executable components can also include a vibrational mode component that can compute an intramolecular vibrational mode of the molecule based on the potential energy surface fitted with the potential energy function. Also, the computer executable components can include a partition component that can compute a partition function based on the intramolecular vibrational mode.

Abstract: The illustrative embodiments provide a method, system, and computer program product for quantum feature kernel alignment using a hybrid classical-quantum computing system. An embodiment of a method for hybrid classical-quantum decision maker training includes receiving a training data set. In an embodiment, the method includes selecting, by a first processor, a sampling of objects from the training set, each object represented by at least one vector. In an embodiment, the method includes applying, by a quantum processor, a set of quantum feature maps to the selected objects, the set of quantum maps corresponding to a set of quantum kernels. In an embodiment, the method includes evaluating, by a quantum processor, a set of parameters for a quantum feature map circuit corresponding to at least one of the set of quantum feature maps.

Abstract: Techniques regarding determining thermodynamic observables of a chemical system are provided. For example, one or more embodiments described herein can include a system, which can comprise a memory that can store computer executable components. The system can also include a processor, operably coupled to the memory, and that can execute the computer executable components stored in the memory. The computer executable components can include a potential energy component that can fit a potential energy function to a computed potential energy surface of a molecule. The computer executable components can also include a vibrational mode component that can compute an intramolecular vibrational mode of the molecule based on the potential energy surface fitted with the potential energy function. Also, the computer executable components can include a partition component that can compute a partition function based on the intramolecular vibrational mode.

Abstract: Techniques for quantum entanglement forging for quantum simulations are presented. A decomposer component can decompose a weakly entangled variational state into respective local components of the weakly entangled variational state, wherein the respective local components describe respective tensor product states. A quantum computing simulator component can perform respective quantum simulations of the respective local components of the weakly entangled variational state, and can determine respective portions of variational energy contributed by the respective tensor product states associated with the respective local components based on the respective quantum simulations of the respective local components of the weakly entangled variational state. An energy determination component can determine a variational energy associated with the weakly entangled variational state based on the respective portions of the variational energy contributed by the respective tensor product states.

Abstract: Techniques regarding determining thermodynamic observables of a chemical system are provided. For example, one or more embodiments described herein can include a system, which can comprise a memory that can store computer executable components. The system can also include a processor, operably coupled to the memory, and that can execute the computer executable components stored in the memory. The computer executable components can include a potential energy component that can fit a potential energy function to a computed potential energy surface of a molecule. The computer executable components can also include a vibrational mode component that can compute an intramolecular vibrational mode of the molecule based on the potential energy surface fitted with the potential energy function. Also, the computer executable components can include a partition component that can compute a partition function based on the intramolecular vibrational mode.

Abstract: The illustrative embodiments provide a method, system, and computer program product for quantum feature kernel alignment using a hybrid classical-quantum computing system. An embodiment of a method for hybrid classical-quantum decision maker training includes receiving a training data set. In an embodiment, the method includes selecting, by a first processor, a sampling of objects from the training set, each object represented by at least one vector. In an embodiment, the method includes applying, by a quantum processor, a set of quantum feature maps to the selected objects, the set of quantum maps corresponding to a set of quantum kernels. In an embodiment, the method includes evaluating, by a quantum processor, a set of parameters for a quantum feature map circuit corresponding to at least one of the set of quantum feature maps.