Related papers: Entanglement-minimized orbitals enable faster quan…
Entanglement is the quintessential quantum phenomenon and a necessary ingredient in most emerging quantum technologies, including quantum repeaters, quantum information processing (QIP) and the strongest forms of quantum cryptography. Spin…
Quantum computing is believed to be particularly useful for the simulation of chemistry and materials, among the various applications. In recent years, there have been significant advancements in the development of near-term quantum…
Quantum algorithms for ground-state energy estimation of chemical systems require a high-quality initial state. However, initial state preparation is commonly either neglected entirely, or assumed to be solved by a simple product state like…
A reduced-complexity variant of equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) method is formulated in terms of state-averaged excited state pair natural orbitals (PNO) designed to describe manifolds of excited states.…
Standing as one of the most significant barriers to reaching quantum advantage, state-preparation fidelities on noisy intermediate-scale quantum processors suffer from quantum-gate errors, which accumulate over time. A potential remedy is…
Minimizing the time required for quantum state preparation is crucial to mitigate decoherence and enable practical quantum algorithms on near-term hardware. In this work, we introduce a technique for quantum state preparation in…
Connecting multiple smaller qubit modules by generating high-fidelity entangled states is a promising path for scaling quantum computing hardware. The performance of such a modular quantum computer is highly dependent on the quality and…
Quantum computing is arguably one of the most revolutionary and disruptive technologies of this century. Due to the ever-increasing number of potential applications as well as the continuing rise in complexity, the development, simulation,…
Quantum Phase Estimation (QPE), the quantum algorithm for estimating eigenvalues of a given Hermitian matrix and preparing its eigenvectors, is considered the most promising approach to finding the ground states and their energies of…
It is often argued that entanglement is at the root of the speedup for quantum compared to classical computation, and that one needs a sufficient amount of entanglement for this speedup to be manifest. In measurement-based quantum computing…
We present several improvements of the infinite matrix product state (iMPS) algorithm for finding ground states of one-dimensional quantum systems with long-range interactions. As a main new ingredient we introduce the superposed…
Understanding and classifying multipartite entanglement is fundamental to quantum information processing. This work focuses on absolutely maximally entangled (AME) states, a class of highly entangled states characterized by their maximal…
Efficient simulations of quantum evolutions of spin-1/2 systems are relevant for ensemble quantum computation as well as in typical NMR experiments. We propose an efficient method to calculate the dynamics of an observable provided that the…
A quantum state's entanglement across a bipartite cut can be quantified with entanglement entropy or, more generally, Schmidt norms. Using only Schmidt decompositions, we present a simple iterative algorithm to maximize Schmidt norms.…
Recent work has shown that for one-dimensional quantum states that can be effectively approximated by matrix product operators (MPOs), a polynomial number of copies of the state suffices for reconstruction. Compared to MPOs in one…
Evaluating multi-center molecular integrals with Cartesian Gaussian-type basis sets has been a long-standing bottleneck in electronic structure theory calculation for solids and molecules. We have developed a vector-coupling and…
Optimizing Reconfigurable Intelligent Surfaces (RIS) is a high-dimensional combinatorial challenge. Current quantum algorithms often simplify this problem by ignoring physical constraints like mutual coupling, which significantly degrades…
Correlated electron molecular orbital (CEMO) materials host emergent electronic states built from molecular orbitals localized over clusters of transition metal ions, yet have historically been discovered sporadically and generally been…
We demonstrate that, rather than resorting to high-cost dynamic correlation methods, qualitative failures in excited-state potential energy surface predictions can often be remedied at no additional cost by ensuring that optimal molecular…
Conformation generation, also known as molecular unfolding (MU), is a crucial step in structure-based drug design, remaining a challenging combinatorial optimization problem. Quantum annealing (QA) has shown great potential for solving…