Related papers: Full-Dimensional Schr\"odinger Wavefunction Calcul…
Quantum computation offers a promising alternative to classical computing methods in many areas of numerical science, with algorithms that make use of the unique way in which quantum computers store and manipulate data often achieving…
We present a fully numerical framework for the optimization of molecule-specific quantum chemical basis functions within the quantics tensor train format using a finite-difference scheme. The optimization is driven by solving the…
Quantum computing is a promising new area of computing with quantum algorithms offering a potential speedup over classical algorithms if fault tolerant quantum computers can be built. One of the first applications of the classical computer…
The complex-scaling method can be used to calculate molecular resonances within the Born-Oppenheimer approximation, assuming the electronic coordinates are dilated independently of the nuclear coordinates. With this method, one will…
Most discussions of chaotic scattering systems are devoted to two-dimensional systems. It is of considerable interest to extend these studies to the, in general, more realistic case of three dimensions. In this context, it is conceptually…
Computational Fluid Dynamics (CFD) is central to science and engineering, but faces severe scalability challenges, especially in high-dimensional, multiscale, and turbulent regimes. Traditional numerical methods often become prohibitively…
Parametrized quantum optical circuits are a class of quantum circuits in which the carriers of quantum information are photons and the gates are optical transformations. Classically optimizing these circuits is challenging due to the…
We employ our new approach to non-relativistic supersymmetric quantum mechanics (SUSY-QM), (J. Phys. Chem. A 114, 8202(2010)) for any number of dimensions and distinguishable particles, to treat the hydrogen atom in full three-dimensional…
Quantum computers can produce a quantum encoding of the solution of a system of differential equations exponentially faster than a classical algorithm can produce an explicit description. However, while high-precision quantum algorithms for…
Quantum computing not only holds the potential to solve long-standing problems in quantum physics, but also to offer speed-ups across a broad spectrum of other fields. However, due to the noise and the limited scale of current quantum…
Quantum Bayesian Computation (QBC) is an emerging field that levers the computational gains available from quantum computers to provide an exponential speed-up in Bayesian computation. Our paper adds to the literature in two ways. First, we…
Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…
Quantum computers promise to revolutionise electronic simulations by overcoming the exponential scaling of many-electron problems. While electronic wave functions can be represented using a product of fermionic unitary operators, shallow…
Quantum computers are expected to give major speed-ups for the simulation of quantum systems. In this work, we present quantum gates that simulate the colour part of the interactions of quarks and gluons in perturbative quantum…
While the treatment of chemically relevant systems containing hundreds or even thousands of electrons remains beyond the reach of quantum devices, the development of quantum-classical hybrid algorithms to resolve electronic correlation…
Quantum computing uses the physical principles of very small systems to develop computing platforms which can solve problems that are intractable on conventional supercomputers. There are challenges not only in building the required…
Representations of quantum computations are almost always based on a tensor product $\otimes$-structure. This coincides with what we are able to execute in our experiments, as well as what we observe in Nature, but it makes certain familiar…
The Schr\"odinger equation in the presence of an external electromagnetic field is an important problem in computational quantum mechanics. It also provides a nice example of a differential equation whose flow can be split with benefit into…
Recently, the entanglement dynamics of two harmonic oscillators initially prepared in a separable-coherent state was demonstrated to offer a pathway for prime number identification. This article presents a generalized approach and outlines…
Quantum computers have the potential to transform the ways in which we tackle some important problems. The efforts by companies like Google, IBM and Microsoft to construct quantum computers have been making headlines for years. Equally…