Related papers: Electronic Structure Theory with Molecular Point G…
As power systems expand, solving the Unit Commitment Problem (UCP) becomes increasingly challenging due to the dimensional catastrophe, and traditional methods often struggle to balance computational efficiency and solution quality. To…
Recently, tremendous progress has been made in the field of quantum science and technologies: different platforms for quantum simulation as well as quantum computing, ranging from superconducting qubits to neutral atoms, are starting to…
Background: Understanding electronic interactions in protein active sites is fundamental to drug discovery and enzyme engineering, but remains computationally challenging due to exponential scaling of quantum mechanical calculations.…
The Quantum Approximate Optimization Algorithm (QAOA) by Farhi et al. is a quantum computational framework for solving quantum or classical optimization tasks. Here, we explore using QAOA for Binary Linear Least Squares (BLLS); a problem…
Modern quantum annealers can find high-quality solutions to combinatorial optimisation objectives given as quadratic unconstrained binary optimisation (QUBO) problems. Unfortunately, obtaining suitable QUBO forms in computer vision remains…
We developed a quantum eigensolver (QE) which is based on an extension of optimized binary configurations measured by quantum annealing (QA) on a D-Wave Quantum Annealer (D-Wave QA). This approach performs iterative QA measurements to…
Quantum annealing is a method developed to solve combinatorial optimization problems by utilizing quantum bits. Solving such problems corresponds to minimizing a cost function defined over binary variables. However, in many practical cases,…
Accurate prediction of protein active-site structures remains a central challenge in structural biology, particularly for short and flexible peptide fragments where conventional and simulation-based methods often fail. Here, we present a…
This work presents a fully quantum approach to support vector machine (SVM) learning by integrating gate-based quantum kernel methods with quantum annealing-based optimization. We explore the construction of quantum kernels using various…
The realization of quantum advantage with noisy-intermediate-scale quantum (NISQ) machines has become one of the major challenges in computational sciences. Maintaining coherence of a physical system with more than ten qubits is a critical…
Quantum annealing may provide advantages over simulated annealing on solving some problems such as Kth order binary optimization problem. No feasible architecture exists to implement the high-order optimization problem (K > 2) on current…
In this paper, we develop a way to encode several NP-Complete problems in Abstract Argumentation to Quadratic Unconstrained Binary Optimization (QUBO) problems. In this form, a solution for a QUBO problem involves minimizing a quadratic…
An improved mapping of one-dimensional SU(2) non-Abelian gauge theory onto qubit degrees of freedom is presented. This new mapping allows for a reduced unphysical Hilbert space. Insensitivity to interactions within this unphysical space is…
We present the first demonstration of an end-to-end pipeline with quantum error correction (QEC) for a quantum computation of the electronic structure of molecular systems. We calculate the ground-state energy of molecular hydrogen, using…
This dissertation explores quantum computation using qudits encoded into large spins, emphasizing the concept of quantum co-design to harness the unique capabilities of physical platforms for enhanced quantum information processing. First,…
We show that higher-dimensional versions of qubits, or qudits, can be encoded into spin systems and into harmonic oscillators, yielding important advantages for quantum computation. Whereas qubit-based quantum computation is adequate for…
A proposal for a magnetic quantum processor that consists of individual molecular spins coupled to superconducting coplanar resonators and transmission lines is carefully examined. We derive a simple magnetic quantum electrodynamics…
Quantum-chemical simulations are essential for predicting energies of chemical reactions. Accurately solving the many-body Schr\"odinger equation for reagent and product states of most relevant chemical process is, however, unfeasible.…
The complex-scaling method can be used to calculate molecular resonances within the Born-Oppenheimer approximation, assuming the electronic coordinates are dilated independently of the nuclear coordinates. With this method, one will…
We review our recently developed electronic structure calculation methods used for the dynamics of large-scale solids or liquids with an efficient algorithm for large scale simultaneous linear equations. The electronic structure calculation…