Related papers: Subspace methods for electronic structure simulati…
The simulation of the spectra measured in nuclear magnetic resonance (NMR) spectroscopy experiments is a computationally non-trivial problem which, due to its natural interpretation as a quantum spin problem, maps in a straightforward way…
Quantum machine learning (QML) seeks to exploit the intrinsic properties of quantum mechanical systems, including superposition, coherence, and quantum entanglement for classical data processing. However, due to the exponential growth of…
Digital quantum simulation has broad applications in approximating unitary evolution of Hamiltonians. In practice, many simulation tasks for quantum systems focus on quantum states in the low-energy subspace instead of the entire Hilbert…
As research on building scalable quantum computers advances, it is important to be able to certify their correctness. Due to the exponential hardness of classically simulating quantum computation, straight-forward verification through…
Quantum computers have now appeared in our society and are utilized for the investigation of science and engineering. At present, they have been built as intermediate-size computers containing about fifty qubits and are weak against noise…
Simulating the unitary dynamics of a quantum system is a fundamental problem of quantum mechanics, in which quantum computers are believed to have significant advantage over their classical counterparts. One prominent such instance is the…
Optimally-shaped electromagnetic fields have the capacity to coherently control the dynamics of quantum systems and thus offer a promising means for controlling molecular transformations relevant to chemical, biological, and materials…
Finding the solution to linear systems is at the heart of many applications in science and technology. Over the years a number of algorithms have been proposed to solve this problem on a digital quantum device, yet most of these are too…
Quantum chemical calculations on quantum computers have been focused mostly on simulating molecules in gas-phase. Molecules in liquid solution are however most relevant for Chemistry. Continuum solvation models represent a good compromise…
Traditional algorithms for simulating quantum computers on classical ones require an exponentially large amount of memory, and so typically cannot simulate general quantum circuits with more than about 30 or so qubits on a typical PC-scale…
Quantum signal processing (QSP) provides a representation of scalar polynomials of degree $d$ as products of matrices in $\mathrm{SU}(2)$, parameterized by $(d+1)$ real numbers known as phase factors. QSP is the mathematical foundation of…
Typically, quantum mechanics is thought of as a linear theory with unitary evolution governed by the Schr\"odinger equation. While this is technically true and useful for a physicist, with regards to computation it is an unfortunately…
A numerical method for solving Schrodinger's equation based upon a Baker-Campbell-Hausdorff (BCH) expansion of the time evolution operator is presented herein. The technique manifestly preserves wavefunction norm, and it can be applied to…
The development of quantum computers has been the stimulus that enables the realization of Quantum Machine Learning (QML), an area that integrates the calculational framework of quantum mechanics with the adaptive properties of classical…
Reducing the complexity of quantum algorithms to treat quantum chemistry problems is essential to demonstrate an eventual quantum advantage of Noisy-Intermediate Scale Quantum (NISQ) devices over their classical counterpart. Significant…
We describe in detail a set of ideas for implementing qubits, quantum gates and quantum gate networks in a semiconductor heterostructure device. Our proposal is based on an extension of the technology used for surface acoustic wave (SAW)…
As basic elements of the quantum computer - quantum bits (qubits) we offer semiconductor quantum dots containing one electron each and consisting each of two tunnel-connected parts. The numerical solution of a Schroedinger equation with the…
Currently available noisy intermediate-scale quantum (NISQ) devices are limited by the number of qubits that can be used for quantum chemistry calculations on molecules. We show herein that the number of qubits required for simulations on a…
Computing the electronic structure of molecules with high precision is a central challenge in the field of quantum chemistry. Despite the enormous success of approximate methods, tackling this problem exactly with conventional computers is…
Quantum simulation of quantum chemistry is one of the most compelling applications of quantum computing. It is of particular importance in areas ranging from materials science, biochemistry and condensed matter physics. Here, we propose a…