Subscribe to the gold package and get unlimited access to Shamra Academy
Register a new userQuantum Simulations of Material Properties on Quantum Computers
145
0
0.0
(
0
)
Ask ChatGPT about the research
No Arabic abstract
Quantum computers hold promise to greatly improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable on classical architectures. Here, we discuss computational frameworks to carry out electronic structure calculations of solids on noisy intermediate scale quantum computers using embedding theories and effective many-body Hamiltonians. We focus on a specific class of materials, i.e., spin defects in solids, which are promising systems to build future quantum technologies, e.g., computers, sensors and devices for quantum communications. Although quantum simulations on quantum architectures are in their infancy, promising results for realistic systems appear within reach.
rate research
Read More
A highly anticipated application for quantum computers is as a universal simulator of quantum many-body systems, as was conjectured by Richard Feynman in the 1980s. The last decade has witnessed the growing success of quantum computing for simulating static properties of quantum systems, i.e., the ground state energy of small molecules. However, it remains a challenge to simulate quantum many-body dynamics on current-to-near-future noisy intermediate-scale quantum computers. Here, we demonstrate successful simulation of nontrivial quantum dynamics on IBMs Q16 Melbourne quantum processor and Rigettis Aspen quantum processor; namely, ultrafast control of emergent magnetism by THz radiation in an atomically-thin two-dimensional material. The full code and step-by-step tutorials for performing such simulations are included to lower the barrier to access for future research on these two quantum computers. As such, this work lays a foundation for the promising study of a wide variety of quantum dynamics on near-future quantum computers, including dynamic localization of Floquet states and topological protection of qubits in noisy environments.
We report results for simulating an effective field theory to compute the binding energy of the deuteron nucleus using a hybrid algorithm on a trapped-ion quantum computer. Two increasingly complex unitary coupled-cluster ansaetze have been used to compute the binding energy to within a few percent for successively more complex Hamiltonians. By increasing the complexity of the Hamiltonian, allowing more terms in the effective field theory expansion and calculating their expectation values, we present a benchmark for quantum computers based on their ability to scalably calculate the effective field theory with increasing accuracy. Our result of $E_4=-2.220 pm 0.179$MeV may be compared with the exact Deuteron ground-state energy $-2.224$MeV. We also demonstrate an error mitigation technique using Richardson extrapolation on ion traps for the first time. The error mitigation circuit represents a record for deepest quantum circuit on a trapped-ion quantum computer.
Intermediate-scale quantum technologies provide unprecedented opportunities for scientific discoveries while posing the challenge of identifying important problems that can take advantage of them through algorithmic innovations. A major open problem in quantum many-body physics is the table-top generation and detection of emergent excitations analogous to gravitons -- the elusive mediators of gravitational force in a quantum theory of gravity. In solid-state materials, fractional quantum Hall phases are one of the leading platforms for realizing graviton-like excitations. However, their direct observation remains an experimental challenge. Here, we generate these excitations on the IBM quantum processor. We first identify an effective one-dimensional model that captures the geometric properties and graviton dynamics of fractional quantum Hall states. We then develop an efficient, optimal-control-based variational quantum algorithm to simulate geometric quench and the subsequent graviton dynamics, which we successfully implement on the IBM quantum computer. Our results open a new avenue for studying the emergence of gravitons in a new class of tractable models that lend themselves to direct implementations on the existing quantum hardware.
Determining Hamiltonian ground states and energies is a challenging task with many possible approaches on quantum computers. While variational quantum eigensolvers are popular approaches for near term hardware, adiabatic state preparation is an alternative that does not require noisy optimization of parameters. Beyond adiabatic schedules, QAOA is an important method for optimization problems. In this work we modify QAOA to apply to finding ground states of molecules and empirically evaluate the modified algorithm on several molecules. This modification applies physical insights used in classical approximations to construct suitable QAOA operators and initial state. We find robust qualitative behavior for QAOA as a function of the number of steps and size of the parameters, and demonstrate this behavior also occurs in standard QAOA applied to combinatorial search. To this end we introduce QAOA phase diagrams that capture its performance and properties in various limits. In particular we show a region in which non-adiabatic schedules perform better than the adiabatic limit while employing lower quantum circuit depth. We further provide evidence our results and insights also apply to QAOA applications beyond chemistry.
Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness the power of near-term quantum computers for simulations of larger systems, it is desirable to develop hybrid quantum-classical methods where the quantum computation is restricted to a small portion of the system. This is of particular relevance for molecules and solids where an active region requires a higher level of theoretical accuracy than its environment. Here we present a quantum embedding theory for the calculation of strongly-correlated electronic states of active regions, with the rest of the system described within density functional theory. We demonstrate the accuracy and effectiveness of the approach by investigating several defect quantum bits in semiconductors that are of great interest for quantum information technologies. We perform calculations on quantum computers and show that they yield results in agreement with those obtained with exact diagonalization on classical architectures, paving the way to simulations of realistic materials on near-term quantum computers.
Log in to be able to interact and post comments
comments
Fetching comments
Sign in to be able to follow your search criteria
