Related papers: QUBO-based density matrix electronic structure met…
We provide a constructive algorithm to find the best separable approximation to an arbitrary density matrix of a composite quantum system of finite dimensions. The method leads to a condition of separability and to a measure of…
Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure…
Quantum annealing has emerged as a promising approach for solving NP-hard optimization problems, leveraging quantum phenomena such as quantum tunneling to navigate complex energy landscapes. However, the extent to which quantum tunneling…
The Benders' decomposition algorithm is a technique in mathematical programming for complex mixed-integer linear programming (MILP) problems with a particular block structure. The strategy of Benders' decomposition can be described as a…
Simulated annealing (SA) is a key algorithm for solving combinatorial optimization problems, which model numerous real-world systems. While SA is commonly used to solve quadratic unconstrained binary optimization (QUBO) problems, many…
Graph embedding is a recurrent problem in quantum computing, for instance, quantum annealers need to solve a minor graph embedding in order to map a given Quadratic Unconstrained Binary Optimization (QUBO) problem onto their internal…
Reconstruction of density matrices is important in NMR quantum computing. An analysis is made for a 2-qubit system by using the error matrix method. It is found that the state tomography method determines well the parameters that are…
From the perspective of global warming, efficiency improvement of power grids is a pressing issue. Power grids have many switching devices to control the flow of electricity. Since there is a slight resistance in the wires and power…
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…
Solving linear systems of equations is a frequently encountered problem in machine learning and optimisation. Given a matrix $A$ and a vector $\mathbf b$ the task is to find the vector $\mathbf x$ such that $A \mathbf x = \mathbf b$. We…
In this work, we explore graph partitioning (GP) using quantum annealing on the D-Wave 2X machine. Motivated by a recently proposed graph-based electronic structure theory applied to quantum molecular dynamics (QMD) simulations, graph…
Classical computation of electronic properties in large-scale materials remains challenging. Quantum computation has the potential to offer advantages in memory footprint and computational scaling. However, general and practical quantum…
Determining ground state energies of quantum systems by hybrid classical/quantum methods has emerged as a promising candidate application for near-term quantum computational resources. Short of large-scale fault-tolerant quantum computers,…
Matrices with the displacement structures of circulant, Toeplitz, and Hankel types as well as matrices with structures generalizing these types are omnipresent in computations of sciences and engineering. In this paper, we present efficient…
A strategy for the analysis of active debris removal missions targeting multiple objects from a set of objects in near-circular orbit with similar inclination is presented. Algebraic techniques successfully reduce the orbital mechanics…
Quantum annealing is getting increasing attention in combinatorial optimization. The quantum processing unit by D-Wave is constructed to approximately solve Ising models on so-called Chimera graphs. Ising models are equivalent to quadratic…
Density matrices are powerful mathematical tools for the description of closed and open quantum systems. Recently, methods for the direct computation of density matrix elements in scalar quantum field theory were developed based on thermo…
Over the last decade, researchers have been working to improve a crucial aspect of quantum computing to predict Hamiltonian energy of solids. Quantum algorithms such as Variational Quantum Eigensolver (VQE) and Variational Quantum Deflation…
We present an efficient algorithm for twirling a multi-qudit quantum state. The algorithm can be used for approximating the twirling operation in an ensemble of physical systems in which the systems cannot be individually accessed. It can…
In wireless communication networks, it is difficult to solve many NP-hard problems owing to computational complexity and high cost. Recently, quantum annealing (QA) based on quantum physics was introduced as a key enabler for solving…