Related papers: High-precision Quantum Phase Estimation on a Trapp…
We study a hardware-efficient variational quantum algorithm ansatz tailored for the trapped-ion quantum simulator, HEA-TI. We leverage programmable single-qubit rotations and global spin-spin interactions among all ions, reducing the…
In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…
It is exponentially hard to simulate quantum systems by classical algorithms, while quantum computer could in principle solve this problem polynomially. We demonstrate such an quantum-simulation algorithm on our NMR system to simulate an…
Fault-tolerant quantum computing is a promising tool for simulating molecules and materials, but frequently-considered applications require substantial resources, and the gap between hardware capabilities and requirements remains…
Estimating molecular ground-state energies is a central application of quantum computing, requiring both the preparation of accurate quantum states and efficient energy readout. Understanding the effect of hardware noise on these…
Quantum error correction will be essential for realizing the full potential of large-scale quantum information processing devices. Fundamental to its experimental realization is the repetitive detection of errors via projective measurements…
The fundamental problem faced in quantum chemistry is the calculation of molecular properties, which are of practical importance in fields ranging from materials science to biochemistry. Within chemical precision, the total energy of a…
Efficient error estimates for the Trotter product formula are central in quantum computing, mathematical physics, and numerical simulations. However, the Trotter error's dependency on the input state and its application to unbounded…
Beyond ground state energy estimation, quantum phase estimation (QPE) applied to many-electron systems has the potential to output an approximation of the ground state, enabling in a second step an evaluation of observables other than the…
We adapt the robust phase estimation algorithm to the evaluation of energy differences between two eigenstates using a quantum computer. This approach does not require controlled unitaries between auxiliary and system registers or even a…
The simulation of molecules is a widely anticipated application of quantum computers. However, recent studies \cite{WBCH13a,HWBT14a} have cast a shadow on this hope by revealing that the complexity in gate count of such simulations…
Proposals for near-term experiments in quantum chemistry on quantum computers leverage the ability to target a subset of degrees of freedom containing the essential quantum behavior, sometimes called the active space. This approximation…
Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…
The ability of quantum computers to overcome the exponential memory scaling of many-body problems is expected to transform quantum chemistry. Quantum algorithms require accurate representations of electronic states on a quantum device, but…
Quantum computers promise to solve certain problems more efficiently than their digital counterparts. A major challenge towards practically useful quantum computing is characterizing and reducing the various errors that accumulate during an…
Due to the wide range of technical applications of actinide elements, a thorough understanding of their electronic structure could complement technological improvements in many different areas. Quantum computing could greatly aid in this…
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…
Quantum computing is emerging as a new computational paradigm with the potential to transform several research fields, including quantum chemistry. However, current hardware limitations (including limited coherence times, gate infidelities,…
The simulation of electronic properties is a pivotal issue in modern electronic structure theory, driving significant efforts over the past decades to develop protocols for computing energy derivatives. In this work, we address this problem…
Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…