相关论文: Quantum Molecular Unfolding
Quantum annealing (QA) is a quantum computing algorithm that works on the principle of Adiabatic Quantum Computation (AQC), and it has shown significant computational advantages in solving combinatorial optimization problems such as vehicle…
Statistically correcting measured cross sections for detector effects is an important step across many applications. In particle physics, this inverse problem is known as unfolding. In cases with complex instruments, the distortions they…
Quantum annealing aims at solving optimization problems of practical relevance using quantum-computing hardware. Problems of interest are typically formulated in terms of quadratic unconstrained binary optimization (QUBO) Hamiltonians.…
In this paper, we study the problem of digital pre/post-coding design in multiple-input multiple-output (MIMO) systems with 1-bit resolution per complex dimension. The optimal solution that maximizes the received signal-to-noise ratio…
Predicting the 3D structure of proteins is one of the most important problems in current biochemical research. In this article, we explain how to combine recent deep learning advances with the well known technique of quantum walks applied…
The rotation of trapped molecules offers a promising platform for quantum technologies and quantum information processing. In parallel, quantum error correction codes that can protect quantum information encoded in rotational states of a…
Designing molecular structures with desired chemical properties is an essential task in drug discovery and material design. However, finding molecules with the optimized desired properties is still a challenging task due to combinatorial…
Simulating the molecular dynamics (MD) using classical or semi-classical trajectories provides important details for the understanding of many chemical reactions, protein folding, drug design, and solvation effects. MD simulations using…
Quantum computations are very important branch of modern cryptology. According to the number of working physical qubits available in general-purpose quantum computers and in quantum annealers, there is no coincidence, that nowadays quantum…
Quantum Annealing (QA) and QAOA are promising quantum optimisation algorithms used for finding approximate solutions to combinatorial problems on near-term NISQ systems. Many NP-hard problems can be reformulated as Quadratic Unconstrained…
The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…
Many real-world problems are naturally formulated as higher-order optimization (HUBO) tasks involving dense, multi-variable interactions, which are challenging to solve with classical methods. Quantum optimization offers a promising route,…
Molecular dynamics (MD) has become a powerful tool for studying biophysical systems, due to increasing computational power and availability of software. Although MD has made many contributions to better understanding these complex…
Quantum signal processing combined with quantum eigenvalue transformation has recently emerged as a unifying framework for several quantum algorithms. In its standard form, it consists of two separate routines: block encoding, which encodes…
To solve an optimization problem using a commercial quantum annealer, one has to represent the problem of interest as an Ising or a quadratic unconstrained binary optimization (QUBO) problem and submit its coefficients to the annealer,…
First principles based exploration of chemical space deepens our understanding of chemistry, and might help with the design of new materials or experiments. Due to the computational cost of quantum chemistry methods and the immens number of…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
The D-Wave quantum annealers make it possible to obtain high quality solutions of NP-hard problems by mapping a problem in a QUBO (quadratic unconstrained binary optimization) or Ising form to the physical qubit connectivity structure on…
Mutually unbiased bases (MUBs) play a key role in many protocols in quantum science, such as quantum key distribution. However, defining MUBs for arbitrary high-dimensional systems is theoretically difficult, and measurements in such bases…
Calculating the molecular ground-state energy is a central challenge in computational chemistry. Conventional methods such as the Complete Active Space Configuration Interaction scale exponentially with molecular size, limiting their…