Related papers: Towards molecular docking with neutral atoms
Understanding NP-complete problems is a central topic in computer science. This is why adiabatic quantum optimization has attracted so much attention, as it provided a new approach to tackle NP-complete problems using a quantum computer.…
We develop a scheme for quantum computation with neutral atoms, based on the concept of "marker" atoms, i.e., auxiliary atoms that can be efficiently transported in state-independent periodic external traps to operate quantum gates between…
In drug discovery, knowledge of the graph structure of chemical compounds is essential. Many thousands of scientific articles in chemistry and pharmaceutical sciences have investigated chemical compounds, but in cases the details of the…
In recent years, neutral atom-based quantum computation has been established as a competing alternative for the realization of fault-tolerant quantum computation. However, as with other quantum technologies, various sources of noise limit…
The prevalent approach to executing quantum algorithms on quantum computers is to break-down the algorithms to a concatenation of universal gates, typically single and two-qubit gates. However such a decomposition results in long gate…
We view molecular optimization as a graph-to-graph translation problem. The goal is to learn to map from one molecular graph to another with better properties based on an available corpus of paired molecules. Since molecules can be…
Quantum integer factorization is a potential quantum computing solution that may revolutionize cryptography. Nevertheless, a scalable and efficient quantum algorithm for noisy intermediate-scale quantum computers looks far-fetched. We…
Neutral atom arrays have emerged as a versatile candidate for the embedding of hard classical optimization problems. Prior work has focused on mapping problems onto finding the maximum independent set of weighted or unweighted unit disk…
Predicting molecular properties (e.g., atomization energy) is an essential issue in quantum chemistry, which could speed up much research progress, such as drug designing and substance discovery. Traditional studies based on density…
The Quantum Approximate Optimization Algorithm can naturally be applied to combinatorial search problems on graphs. The quantum circuit has p applications of a unitary operator that respects the locality of the graph. On a graph with…
We study a job shop scheduling problem for an automatized robot in a high-throughput laboratory and a travelling salesperson problem with recently proposed digitized counterdiabatic quantum optimization (DCQO)algorithms. In DCQO, we find…
In the continuum limit (large number of qubits), adiabatic quantum algorithms display a remarkable similarity to sweeps through quantum phase transitions. We find that transitions of second or higher order are advantageous in comparison to…
We assess the prospects for algorithms within the general framework of quantum annealing (QA) to achieve a quantum speedup relative to classical state of the art methods in combinatorial optimization and related sampling tasks. We argue for…
We present a hybrid classical-quantum algorithm to solve optimization problems in current quantum computers, whose basic idea is to assist variational quantum eigensolvers (VQE) with adiabatic change of the Hamiltonian. The rational for…
In this paper we propose an approach for solving systems of nonlinear equations without computing function derivatives. Motivated by the application area of tomographic absorption spectroscopy, which is a highly-nonlinear problem with…
Given an undirected, unweighted graph with $n$ vertices and $m$ edges, the maximum cut problem is to find a partition of the $n$ vertices into disjoint subsets $V_1$ and $V_2$ such that the number of edges between them is as large as…
Recent experiments show the existence of collective decoherence in quantum systems. We study the possibility of quantum computation in decoherence free subspace which is robust against such kind of decoherence processes. This passive…
We propose a new variant of the controlled-NOT quantum logic gate based on adiabatic level-crossing dynamics of the q-bits. The gate has a natural implementation in terms of the Cooper pair transport in arrays of small Josephson tunnel…
In this paper, we present a quantum algorithm for dynamic programming approach for problems on directed acyclic graphs (DAGs). The running time of the algorithm is $O(\sqrt{\hat{n}m}\log \hat{n})$, and the running time of the best known…
Classical algorithms for predicting the equilibrium geometry of strongly correlated molecules require expensive wave function methods that become impractical already for few-atom systems. In this work, we introduce a variational quantum…