Related papers: Molecular docking via quantum approximate optimiza…
Molecular docking is a critical process for drug discovery and challenging due to the complexity and size of biomolecular systems, where the optimal binding configuration of a drug to a target protein is determined. Hybrid classical-quantum…
The quantum approximate optimization algorithm (QAOA) has proved to be an effective classical-quantum algorithm serving multiple purposes, from solving combinatorial optimization problems to finding the ground state of many-body quantum…
Molecular docking (MD) is a crucial task in drug design, which predicts the position, orientation, and conformation of the ligand when bound to a target protein. It can be interpreted as a combinatorial optimization problem, where quantum…
Quantum Approximate Optimization Algorithm (QAOA) is one of the fundamental variational quantum algorithms, while a version of QAOA that includes counterdiabatic driving, termed Digitized Counterdiabatic QAOA (DC-QAOA), is generally…
The bin packing problem, a classical NP-hard combinatorial optimization challenge, has emerged as a promising candidate for quantum computing applications. In this work, we address the one-dimensional bin packing problem (1dBPP) using a…
Solving optimization tasks using variational quantum algorithms has emerged as a crucial application of the current noisy intermediate-scale quantum devices. However, these algorithms face several difficulties like finding suitable ansatz…
Molecular docking is an important tool for structure-based drug design, accelerating the efficiency of drug development. Complex and dynamic binding processes between proteins and small molecules require searching and sampling over a wide…
Perfect Domination Problem (PDP), a canonical challenge in combinatorial optimization, finds critical applications in real-world systems such as error-correcting codes, wireless communication networks, and social networks. Decades of…
The quantum approximate optimization algorithm (QAOA) is a near-term hybrid algorithm intended to solve combinatorial optimization problems, such as MaxCut. QAOA can be made to mimic an adiabatic schedule, and in the $p\to\infty$ limit the…
The Quantum Approximate Optimization Algorithm (QAOA) is an algorithmic framework for finding approximate solutions to combinatorial optimization problems, derived from an approximation to the Quantum Adiabatic Algorithm (QAA). In solving…
Developing quantum algorithms adaptive to specific constraints of near-term devices is an essential step towards practical quantum advantage. In a recent work [Phys. Rev. Lett. 131, 103601(2023)], we show cold atoms in an optical cavity can…
We consider digitized-counterdiabatic quantum computing as an advanced paradigm to approach quantum advantage for industrial applications in the NISQ era. We apply this concept to investigate a discrete mean-variance portfolio optimization…
Protein folding -- the problem of predicting the spatial structure of a protein given its sequence of amino-acids -- has attracted considerable research effort in biochemistry in recent decades. In this work, we explore the potential of…
We introduce a counterdiabatic (CD) extension of the Quantum Approximate Optimization Algorithm (QAOA) for constrained portfolio optimization. By incorporating approximate adiabatic gauge potentials generated from nested commutators of the…
We propose a faster digital quantum algorithm for portfolio optimization using the digitized-counterdiabatic quantum optimization (DCQO) paradigm in the impulse regime, that is, where the counterdiabatic terms are dominant. Our approach…
Quantum approximate optimization algorithm (QAOA) has shown promise in solving combinatorial optimization problems by providing quantum speedup on near-term gate-based quantum computing systems. However, QAOA faces challenges for…
New computational strategies, such as molecular docking, are emerging to speed up the drug discovery process. This method predicts the activity of molecules at the binding site of proteins, helping to select the ones that exhibit desirable…
Combinatorial optimization problems are ubiquitous and computationally hard to solve in general. Quantum approximate optimization algorithm (QAOA), one of the most representative quantum-classical hybrid algorithms, is designed to solve…
The Quantum Approximate Optimization Algorithm (QAOA) is a well-known hybrid quantum-classical algorithm for combinatorial optimization problems. Improving QAOA involves enhancing its approximation ratio while addressing practical…
Recently, Digitized-Counterdiabatic (CD) Quantum Approximate Optimization Algorithm (QAOA) has been proposed to make QAOA converge to the solution of an optimization problem in fewer steps, inspired by Trotterized counterdiabatic driving in…