Nuclei are objects made of nucleons, protons and neutrons. Several dynamical processes that occur in nuclei are of great interest for the scientific community and for possible applications. For example, nuclear fusion can help us produce a large amount of energy with a limited use of resources and environmental impact. Fewnucleon scattering is an essential ingredient to understand and describe the physics of the core of a star. The classical computational algorithms that aim to simulate microscopic quantum systems suffer from the exponential growth of the computational time when the number of particles is increased. Even using today's most powerful HPC devices, the simulation of many processes, such as the nuclear scattering and fusion, is out of reach due to the excessive amount of computational time needed. In the 1980s, Feynman suggested that quantum computers might be more efficient than classical devices in simulating manyparticle quantum systems. Following Feynman's idea of quantum computing, a complete change in the computation devices and in the simulation protocols has been explored in the recent years, moving towards quantum computations. Recently, the perspective of a realistic implementation of efficient quantum calculations was proved both experimentally and theoretically. Nevertheless, we are not in an era of fully functional quantum devices yet, but rather in the socalled "Noisy IntermediateScale Quantum" (NISQ) era. As of today, quantum simulations still suffer from the limitations of imperfect gate implementations and the quantum noise of the machine that impair the performance of the device. In this NISQ era, studies of complex nuclear systems are out of reach. The evolution and improvement of quantum devices will hopefully help us solve hard quantum problems in the coming years. At present quantum machines can be used to produce demonstrations or, at best, preliminary studies of the dynamics of a few nucleons systems (or other equivalent simple quantum systems). These systems are to be considered mostly toy models for developing prospective quantum algorithms. However, in the future, these algorithms may become efficient enough to allow simulating complex quantum systems in a quantum device, proving more efficient than classical devices, and eventually helping us study hard quantum systems. This is the main goal of this work, developing quantum algorithms, potentially useful in studying the quantum many body problem, and attempting to implement such quantum algorithms in different, existing quantum devices. In particular, the simulations made use of the IBM QPU's , of the Advanced Quantum Testbed (AQT) at Lawrence Berkeley National Laboratory (LBNL), and of the quantum testbed recently based at Lawrence Livermore National Laboratory (LLNL) (or using a devicelevel simulator of this machine). The our research aims are to develop quantum algorithms for general quantum processors. Therefore, the same developed quantum algorithms are implemented in different quantum processors to test their efficiency. Moreover, some uses of quantum processors are also conditioned by their availability during the time span of my PhD. The most common way to implement some quantum algorithms is to combine a discrete set of socalled elementary gates. A quantum operation is then realized in term of a sequence of such gates. This approach suffers from the large number of gates (depth of a quantum circuit) generally needed to describe the dynamics of a complex system. An excessively large circuit depth is problematic, since the presence of quantum noise would effectively erase all the information during the simulation. It is still possible to use errorcorrection techniques, but they require a huge amount of extra quantum register (ancilla qubits). An alternative technique that can be used to address these problems is the socalled "optimal control technique". Specifically, rather than employing a set of prepackaged quantum gates, it is possible to optimize the external physical drive (for example, a suitably modulated electromagnetic pulse) that encodes a multilevel complex quantum gate. In this thesis, we start from the work of Holland et al. "Optimal control for the quantum simulation of nuclear dynamics" Physical Review A 101.6 (2020): 062307, where a quantum simulation of realtime neutronneutron dynamics is proposed, in which the propagation of the system is enacted by a single dense multilevel gate derived from the nuclear spininteraction at leading order (LO) of chiral effective field theory (EFT) through an optimal control technique. Hence, we will generalize the two neutron spin simulations, reincluding spatial degrees of freedom with a hybrid algorithm. The spin dynamics are implemented within the quantum processor and the spatial dynamics are computed applying classical algorithms. We called this method classicalquantum coprocessing. The quantum simulations using optimized optimal control methods and discrete get set approach will be presented. By applying the coprocessing scheme through the optimal control, we have a possible bottleneck due to the requested classical computational time to compute the microwave pulses. A solution to this problem will be presented. Furthermore, an investigation of an improved way to efficiently compile quantum circuits based on the Similarity Renormalization Group will be discussed. This method simplifies the compilation in terms of digital gates. The most important result contained in this thesis is the development of an algorithm for performing an imaginary time propagation on a quantum chip. It belongs to the class of methods for evaluating the ground state of a quantum system, based on operating a Wick rotation of the real time evolution operator. The resulting propagator is not unitary, implementing in some way a dissipation mechanism that naturally leads the system towards its lowest energy state. Evolution in imaginary time is a wellknown technique for finding the ground state of quantum manybody systems. It is at the heart of several numerical methods, including Quantum Monte Carlo techniques, that have been used with great success in quantum chemistry, condensed matter and nuclear physics. The classical implementations of imaginary time propagation suffer (with few exceptions) of an exponential increase in the computational cost with the dimension of the system. This fact calls for a generalization of the algorithm to quantum computers. The proposed algorithm is implemented by expanding the Hilbert space of the system under investigation by means of ancillary qubits. The projection is obtained by applying a series of unitary transformations having the effect of dissipating the components of the initial state along excited states of the Hamiltonian into the ancillary space. A measurement of the ancillary qubit(s) will then remove such components, effectively implementing a "cooling" of the system. The theory and testing of this method, along with some proposals for improvements will be thoroughly discussed in the dedicated chapter.
Quantum algorithms for manybody structure and dynamics / Turro, Francesco.  (2022 Jun 10), pp. 1150. [10.15168/11572_345459]
Quantum algorithms for manybody structure and dynamics
Turro, Francesco
20220610
Abstract
Nuclei are objects made of nucleons, protons and neutrons. Several dynamical processes that occur in nuclei are of great interest for the scientific community and for possible applications. For example, nuclear fusion can help us produce a large amount of energy with a limited use of resources and environmental impact. Fewnucleon scattering is an essential ingredient to understand and describe the physics of the core of a star. The classical computational algorithms that aim to simulate microscopic quantum systems suffer from the exponential growth of the computational time when the number of particles is increased. Even using today's most powerful HPC devices, the simulation of many processes, such as the nuclear scattering and fusion, is out of reach due to the excessive amount of computational time needed. In the 1980s, Feynman suggested that quantum computers might be more efficient than classical devices in simulating manyparticle quantum systems. Following Feynman's idea of quantum computing, a complete change in the computation devices and in the simulation protocols has been explored in the recent years, moving towards quantum computations. Recently, the perspective of a realistic implementation of efficient quantum calculations was proved both experimentally and theoretically. Nevertheless, we are not in an era of fully functional quantum devices yet, but rather in the socalled "Noisy IntermediateScale Quantum" (NISQ) era. As of today, quantum simulations still suffer from the limitations of imperfect gate implementations and the quantum noise of the machine that impair the performance of the device. In this NISQ era, studies of complex nuclear systems are out of reach. The evolution and improvement of quantum devices will hopefully help us solve hard quantum problems in the coming years. At present quantum machines can be used to produce demonstrations or, at best, preliminary studies of the dynamics of a few nucleons systems (or other equivalent simple quantum systems). These systems are to be considered mostly toy models for developing prospective quantum algorithms. However, in the future, these algorithms may become efficient enough to allow simulating complex quantum systems in a quantum device, proving more efficient than classical devices, and eventually helping us study hard quantum systems. This is the main goal of this work, developing quantum algorithms, potentially useful in studying the quantum many body problem, and attempting to implement such quantum algorithms in different, existing quantum devices. In particular, the simulations made use of the IBM QPU's , of the Advanced Quantum Testbed (AQT) at Lawrence Berkeley National Laboratory (LBNL), and of the quantum testbed recently based at Lawrence Livermore National Laboratory (LLNL) (or using a devicelevel simulator of this machine). The our research aims are to develop quantum algorithms for general quantum processors. Therefore, the same developed quantum algorithms are implemented in different quantum processors to test their efficiency. Moreover, some uses of quantum processors are also conditioned by their availability during the time span of my PhD. The most common way to implement some quantum algorithms is to combine a discrete set of socalled elementary gates. A quantum operation is then realized in term of a sequence of such gates. This approach suffers from the large number of gates (depth of a quantum circuit) generally needed to describe the dynamics of a complex system. An excessively large circuit depth is problematic, since the presence of quantum noise would effectively erase all the information during the simulation. It is still possible to use errorcorrection techniques, but they require a huge amount of extra quantum register (ancilla qubits). An alternative technique that can be used to address these problems is the socalled "optimal control technique". Specifically, rather than employing a set of prepackaged quantum gates, it is possible to optimize the external physical drive (for example, a suitably modulated electromagnetic pulse) that encodes a multilevel complex quantum gate. In this thesis, we start from the work of Holland et al. "Optimal control for the quantum simulation of nuclear dynamics" Physical Review A 101.6 (2020): 062307, where a quantum simulation of realtime neutronneutron dynamics is proposed, in which the propagation of the system is enacted by a single dense multilevel gate derived from the nuclear spininteraction at leading order (LO) of chiral effective field theory (EFT) through an optimal control technique. Hence, we will generalize the two neutron spin simulations, reincluding spatial degrees of freedom with a hybrid algorithm. The spin dynamics are implemented within the quantum processor and the spatial dynamics are computed applying classical algorithms. We called this method classicalquantum coprocessing. The quantum simulations using optimized optimal control methods and discrete get set approach will be presented. By applying the coprocessing scheme through the optimal control, we have a possible bottleneck due to the requested classical computational time to compute the microwave pulses. A solution to this problem will be presented. Furthermore, an investigation of an improved way to efficiently compile quantum circuits based on the Similarity Renormalization Group will be discussed. This method simplifies the compilation in terms of digital gates. The most important result contained in this thesis is the development of an algorithm for performing an imaginary time propagation on a quantum chip. It belongs to the class of methods for evaluating the ground state of a quantum system, based on operating a Wick rotation of the real time evolution operator. The resulting propagator is not unitary, implementing in some way a dissipation mechanism that naturally leads the system towards its lowest energy state. Evolution in imaginary time is a wellknown technique for finding the ground state of quantum manybody systems. It is at the heart of several numerical methods, including Quantum Monte Carlo techniques, that have been used with great success in quantum chemistry, condensed matter and nuclear physics. The classical implementations of imaginary time propagation suffer (with few exceptions) of an exponential increase in the computational cost with the dimension of the system. This fact calls for a generalization of the algorithm to quantum computers. The proposed algorithm is implemented by expanding the Hilbert space of the system under investigation by means of ancillary qubits. The projection is obtained by applying a series of unitary transformations having the effect of dissipating the components of the initial state along excited states of the Hamiltonian into the ancillary space. A measurement of the ancillary qubit(s) will then remove such components, effectively implementing a "cooling" of the system. The theory and testing of this method, along with some proposals for improvements will be thoroughly discussed in the dedicated chapter.File  Dimensione  Formato  

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