Related papers: UVGI Scientific Calculator
The simulation of electronic properties is a pivotal issue in modern electronic structure theory, driving significant efforts over the past decades to develop protocols for computing energy derivatives. In this work, we address this problem…
We have implemented likelihood testing of the performance of an optimal filter within the online analysis of AURIGA, a sub-Kelvin resonant-bar gravitational wave detector. We demonstrate the effectiveness of this technique in discriminating…
We present an efficient algorithm for twirling a multi-qudit quantum state. The algorithm can be used for approximating the twirling operation in an ensemble of physical systems in which the systems cannot be individually accessed. It can…
Numerical simulation is an important method for verifying the quantum circuits used to simulate low-energy nuclear states. However, real-world applications of quantum computing for nuclear theory often generate deep quantum circuits that…
A modified version of a micro scale atmospheric pressure plasma jet (\mu-APPJ) source, so-called X-Jet, is used to study the role of plasma generated VUV photons in the inactivation of E. coli bacteria. The plasma is operated in He gas or a…
This paper presents pragmatic solutions for verifying complex mathematical algorithms implemented in hardware in an efficient and effective manner. Maximizing leverage of a known-answer-test strategy, based on predefined data scenarios…
Quantum Computing promises accelerated simulation of certain classes of problems, in particular in plasma physics. Given the nascent interest in applying quantum computing techniques to study plasma systems, a compendium of the relevant…
Computer simulations that demonstrate the valueof novel approaches are crucial to developing more flexibleand robust power systems operations with high penetrations ofrenewable energy at multiple geographic and temporal scales.However,…
We introduce a new variational inference (VI) framework, called energetic variational inference (EVI). It minimizes the VI objective function based on a prescribed energy-dissipation law. Using the EVI framework, we can derive many existing…
Simulating chemical systems on quantum computers has been limited to a few electrons in a minimal basis. We demonstrate experimentally that the virtual quantum subspace expansion [Phys. Rev. X 10, 011004 (2020)] can achieve full basis…
The calculation of excited state energies of electronic structure Hamiltonians has many important applications, such as the calculation of optical spectra and reaction rates. While low-depth quantum algorithms, such as the variational…
We present a quantum algorithm for calculating the vibronic spectrum of a molecule, a useful but classically hard problem in chemistry. We show several advantages over previous quantum approaches: vibrational anharmonicity is naturally…
An analytical solution for the optical efficiency of a luminescent solar concentrator is presented. Due to a large number of input parameters and their complex effect on the device efficiency numerical simulations have been previously used…
In this educational paper, we will discuss calculations on the hydrogen molecule both on classical and quantum computers. In the former case, we will discuss the calculation of molecular integrals that can then be used to calculate…
This document attempts to clarify potential confusion regarding electrostatics calculations, specifically in the context of biomolecular structure and specifically as regards the units typically used to contour/visualize isopotential…
Many processes can correspond to reactive impregnation in porous solids. These processes are usually numerically computed by classical methods like finite element method, finite volume method, etc. The disadvantage of these methods remains…
Variational quantum algorithms (VQAs) incorporate hybrid quantum-classical computation aimed at harnessing the power of noisy intermediate-scale quantum (NISQ) computers to solve challenging computational problems. In this thesis, three…
Unitary Coupled Cluster (UCC) approaches are an appealing route to utilising quantum hardware to perform quantum chemistry calculations, as quantum computers can in principle perform UCC calculations in a polynomially scaling fashion, as…
The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can only be applied to small systems. By contrast, we demonstrate that quantum…
We propose a quantum inverse iteration algorithm which can be used to estimate the ground state properties of a programmable quantum device. The method relies on the inverse power iteration technique, where the sequential application of the…