No Arabic abstract
Computational physics is an important tool for analysing, verifying, and -- at times -- replacing physical experiments. Nevertheless, simulating quantum systems and analysing quantum data has so far resisted an efficient classical treatment in full generality. While programmable quantum systems have been developed to address this challenge, the resources required for classically intractable problems still lie beyond our reach. In this work, we consider a new target for quantum simulation algorithms; analysing the data arising from physics experiments -- specifically, muon spectroscopy experiments. These experiments can be used to probe the quantum interactions present in condensed matter systems. However, fully analysing their results can require classical computational resources scaling exponentially with the simulated system size, which can limit our understanding of the studied system. We show that this task may be a natural fit for the coming generations of quantum computers. We use classical emulations of our quantum algorithm on systems of up to 29 qubits to analyse real experimental data, and to estimate both the near-term and error corrected resources required for our proposal. We find that our algorithm exhibits good noise resilience, stemming from our desire to extract global parameters from a fitted curve, rather than targeting any individual data point. In some respects, our resource estimates go further than some prior work in quantum simulation, by estimating the resources required to solve a complete task, rather than just to run a given circuit. Taking the overhead of observable measurement and calculating multiple datapoints into account, we find that significant challenges still remain if our algorithm is to become practical for analysing muon spectroscopy data.
I review single-molecule experiments (SME) in biological physics. Recent technological developments have provided the tools to design and build scientific instruments of high enough sensitivity and precision to manipulate and visualize individual molecules and measure microscopic forces. Using SME it is possible to: manipulate molecules one at a time and measure distributions describing molecular properties; characterize the kinetics of biomolecular reactions and; detect molecular intermediates. SME provide the additional information about thermodynamics and kinetics of biomolecular processes. This complements information obtained in traditional bulk assays. In SME it is also possible to measure small energies and detect large Brownian deviations in biomolecular reactions, thereby offering new methods and systems to scrutinize the basic foundations of statistical mechanics. This review is written at a very introductory level emphasizing the importance of SME to scientists interested in knowing the common playground of ideas and the interdisciplinary topics accessible by these techniques. The review discusses SME from an experimental perspective, first exposing the most common experimental methodologies and later presenting various molecular systems where such techniques have been applied. I briefly discuss experimental techniques such as atomic-force microscopy (AFM), laser optical tweezers (LOT), magnetic tweezers (MT), biomembrane force probe (BFP) and single-molecule fluorescence (SMF). I then present several applications of SME to the study of nucleic acids (DNA, RNA and DNA condensation), proteins (protein-protein interactions, protein folding and molecular motors). Finally, I discuss applications of SME to the study of the nonequilibrium thermodynamics of small systems and the experimental verification of fluctuation theorems. I conclude with a discussion of open questions and future perspectives.
Quantum computers hold promise to greatly improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable on classical architectures. Here, we discuss computational frameworks to carry out electronic structure calculations of solids on noisy intermediate scale quantum computers using embedding theories and effective many-body Hamiltonians. We focus on a specific class of materials, i.e., spin defects in solids, which are promising systems to build future quantum technologies, e.g., computers, sensors and devices for quantum communications. Although quantum simulations on quantum architectures are in their infancy, promising results for realistic systems appear within reach.
Robust control design for quantum systems has been recognized as a key task in quantum information technology, molecular chemistry and atomic physics. In this paper, an improved differential evolution algorithm, referred to as emph{msMS}_DE, is proposed to search robust fields for various quantum control problems. In emph{msMS}_DE, multiple samples are used for fitness evaluation and a mixed strategy is employed for the mutation operation. In particular, the emph{msMS}_DE algorithm is applied to the control problems of (i) open inhomogeneous quantum ensembles and (ii) the consensus goal of a quantum network with uncertainties. Numerical results are presented to demonstrate the excellent performance of the improved machine learning algorithm for these two classes of quantum robust control problems. Furthermore, emph{msMS}_DE is experimentally implemented on femtosecond laser control applications to optimize two-photon absorption and control fragmentation of the molecule $text{CH}_2text{BrI}$. Experimental results demonstrate excellent performance of emph{msMS}_DE in searching for effective femtosecond laser pulses for various tasks.
A highly anticipated application for quantum computers is as a universal simulator of quantum many-body systems, as was conjectured by Richard Feynman in the 1980s. The last decade has witnessed the growing success of quantum computing for simulating static properties of quantum systems, i.e., the ground state energy of small molecules. However, it remains a challenge to simulate quantum many-body dynamics on current-to-near-future noisy intermediate-scale quantum computers. Here, we demonstrate successful simulation of nontrivial quantum dynamics on IBMs Q16 Melbourne quantum processor and Rigettis Aspen quantum processor; namely, ultrafast control of emergent magnetism by THz radiation in an atomically-thin two-dimensional material. The full code and step-by-step tutorials for performing such simulations are included to lower the barrier to access for future research on these two quantum computers. As such, this work lays a foundation for the promising study of a wide variety of quantum dynamics on near-future quantum computers, including dynamic localization of Floquet states and topological protection of qubits in noisy environments.
Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices. However, at present, developing and studying algorithms for these problems can be difficult due to the prohibitive amount of domain knowledge required in both the area of chemistry and quantum algorithms. To help bridge this gap and open the field to more researchers, we have developed the OpenFermion software package (www.openfermion.org). OpenFermion is an open-source software library written largely in Python under an Apache 2.0 license, aimed at enabling the simulation of fermionic models and quantum chemistry problems on quantum hardware. Beginning with an interface to common electronic structure packages, it simplifies the translation between a molecular specification and a quantum circuit for solving or studying the electronic structure problem on a quantum computer, minimizing the amount of domain expertise required to enter the field. The package is designed to be extensible and robust, maintaining high software standards in documentation and testing. This release paper outlines the key motivations behind design choices in OpenFermion and discusses some basic OpenFermion functionality which we believe will aid the community in the development of better quantum algorithms and tools for this exciting area of research.