Practical quantum dynamics simulation — theory and application

Professor Zhao, Qi   (Principal Investigator (PI))

48

2024-01-01

1233750

Practical quantum dynamics simulation — theory and application

Quantum computing, Variational quantum simulation, Hamiltonian simulation, quantum computational chemistry, quantum linear system solvers

PhysicsComputer Science Fundamentals

Physical Sciences (P)

N_HKU718/23

NSFC/RGC Joint Research Scheme 2023/24

2023

On-going

1. Propose and optimize Hamiltonian simulation algorithms.[We will combine the classical-quantum hybrid computing approach to develop more efficient Hamiltonian simulation algorithms. We will also combine Hamiltonian-variational hybrid quantum simulation algorithms to propose more efficient simulation algorithms. Utilizing machine learning methods, we will optimize the implementation of Hamiltonian simulation algorithm to improve its efficiency and accuracy.]2. Introduce theoretical analysis tools of variational quantum simulation algorithms.[We will propose new frameworks to characterize and compare the expressive power of different ansatzes. We will also analyze the effectiveness, simulation accuracy, and resource estimation of different ansatzes in variational quantum simulation algorithms.]3. Explore the applications of dynamical quantum simulation in quantum many-body systems.[We will design and optimize Hamiltonian simulation algorithms and variational quantum simulation algorithms for specific problems in quantum many-body systems. To be more specific, we will investigate the applications of the proposed algorithms in simulating the dynamics of spin models and chemistry problems, and analyze the implementation errors, accuracy, and resource estimation of the algorithms.]4. Explore the applications of static quantum simulation in materials, chemistry, and drug discovery.[We will design and improve static quantum simulation algorithms by integrating the proposed quantum dynamical evolution algorithms.We will also apply these algorithms to study their applications in materials, chemistry, and drug discovery and perform the quantum resource estimation.]5. Explore the applications of quantum simulation in classical (linear algebra and differential equations) problems.[We will investigate the application of quantum simulations in solving linear equation and differential equation problems and analyze the feasibility of algorithm implementations. Furthermore, we will combine quantum state preparation methods to accelerate the solution of specific linear equation and differential equation problems.]