相关论文: QWalk: A Quantum Monte Carlo Program for Electroni…
Quantum Monte Carlo methods have proved very valuable to study the structure and reactions of light nuclei and nucleonic matter starting from realistic nuclear interactions and currents. These ab-initio calculations reproduce many low-lying…
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 quantum random walk is a possible approach to construct new quantum algorithms. Several groups have investigated the quantum random walk and experimental schemes were proposed. In this paper we present the experimental implementation of…
We present qlbm, a Python software package designed to facilitate the development, simulation, and analysis of Quantum Lattice Boltzmann Methods (QBMs). qlbm is a modular framework that introduces a quantum component abstraction hierarchy…
Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure calculations which, in the last years, are encountering a growing interest thanks to their favorable scaling with the system size and their…
Quantum walks are quantum counterparts of Markov chains. In this article, we give a brief overview of quantum walks, with emphasis on their algorithmic applications.
This is the manual of the first version of QEDtool, an object-oriented Python package that performs numerical quantum electrodynamics calculations, with focus on full state reconstruction in the internal degrees of freedom, correlations and…
Objective: Quantitative real-time PCR is widely used for gene expression analysis, yet inconsistencies in data storage and reporting limit reproducibility. While MIQE guidelines define the minimal information required for publication, they…
We introduce QuAlg, an open-source symbolic algebra package for quantum information. QuAlg supports working with qubit-states, qudit-states, fock-states and even wave-functions in infinite dimenional Hilbert spaces. States can have…
Quantum computing's transition from theory to reality has spurred the need for novel software tools to manage the increasing complexity, sophistication, toil, and fallibility of quantum algorithm development. We present Qualtran, an…
A quantum walk is a time-homogeneous quantum-mechanical process on a graph defined by analogy to classical random walk. The quantum walker is a particle that moves from a given vertex to adjacent vertices in quantum superposition. Here we…
Quantum simulations are designed to model quantum systems, and many compilation frameworks have been developed for executing such simulations on quantum computers. Most compilers leverage the capabilities of digital and analog quantum…
Quantum algorithms present a quadratically improved complexity over classical ones for certain sampling tasks. For instance, the Quantum Amplitude Estimation (QAE) algorithm promises to speedup the estimation of the mean of certain…
It has become increasingly feasible to use quantum Monte Carlo (QMC) methods to study correlated fermion systems for realistic Hamiltonians. We give a summary of these techniques targeted at researchers in the field of correlated electrons,…
We present the design of a flexible quantum-chemical method development framework, which supports employing any type of basis function. This design has been implemented in the light-weight program package molsturm, yielding a…
The quantum Monte Carlo (QMC) is one of the most promising many-body electronic structure approaches. It employs stochastic techniques for solving the stationary Schr\" odinger equation and for evaluation of expectation values. The key…
Electronic energies are calculated for a Hubbard model on the $C_{60}$ molecule using projector quantum Monte Carlo (QMC). Calculations are performed to accuracy high enough to determine the pair binding energy for two electrons added to…
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic…
We introduce qprof, a new and extensible quantum program profiler able to generate profiling reports of various quantum circuits. We describe the internal structure and working of qprof and provide three practical examples on practical…
The main idea of this work is that the quantum-classical isomorphism is a suitable framework for a generalization of the notion of detailed balance. The quantum-classical isomorphism is used in order to develop a Monte Carlo simulation with…