Related papers: Spin-Flip Unitary Coupled Cluster Method: Toward A…
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…
Cluster algorithms are developed for simulating quantum spin systems like the one- and two-dimensional Heisenberg ferro- and anti-ferromagnets. The corresponding two- and three-dimensional classical spin models with four-spin couplings are…
Cluster algorithms are developed for simulating quantum spin systems like the one- and two-dimensional Heisenberg ferro- and anti-ferromagnets. The corresponding two- and three-dimensional classical spin models with four-spin couplings are…
This thesis focuses on the experimental creation and detection of a variety of quantum correlations using nuclear magnetic resonance hardware. Quantum entanglement, being most common and counter-intuitive, is one of the main type considered…
Classical machine learning often struggles with complex, high-dimensional data. Quantum machine learning offers a potential solution, promising more efficient processing. The quantum convolutional neural network (QCNN), a hybrid algorithm,…
Reliable detection and quantification of quantum entanglement, particularly in high-spin or many-body systems, present significant computational challenges for traditional methods. This study examines the effectiveness of ensemble machine…
QubitSolve is working on a quantum solution for computational fluid dynamics (CFD). We have created a variational quantum CFD (VQCFD) algorithm and a 2D Software Prototype based on it. By testing the Software Prototype on a quantum…
We present a novel method for quantum tomography of multi-qubit states. We apply the method to spin-multi-photon states, which we produce by periodic excitation of a semiconductor quantum-dot- confined spin every 1/4 of its coherent…
Accurately capturing electron correlation in large-scale molecular systems remains one of the foremost challenges in quantum chemistry and a primary driver for the development of quantum algorithms. Classical configuration-interaction…
We present a near-linear scaling formulation of the explicitly-correlated coupled-cluster singles and doubles with perturbative triples method (CCSD(T)$_{\overline{\text{F12}}}$) for high-spin states of open-shell species. The approach is…
Conventional classical solvers are commonly used for solving matrix equation systems resulting from the discretization of SIEs in computational electromagnetics (CEM). However, the memory requirement would become a bottleneck for classical…
Current quantum computing hardware is restricted by the availability of only few, noisy qubits which limits the investigation of larger, more complex molecules in quantum chemistry calculations on quantum computers in the near-term. In this…
We present high-precision quantum computing simulations of three-body atoms (He, H$^-$) and molecules (H$_2^+$, HD$^+$), the latter being studied beyond the Born-Oppenheimer approximation. The Non-Iterative Disentangled Unitary Coupled…
Reducing circuit depth is essential for implementing quantum simulations of electronic structure on near-term quantum devices. In this work, we propose a variational quantum eigensolver (VQE) based perturbation theory algorithm to…
Quantum computational chemistry (QCC) is the use of quantum computers to solve problems in computational quantum chemistry. We develop a high performance variational quantum eigensolver (VQE) simulator for simulating quantum computational…
We propose a computational protocol for quantum simulations of Fermionic Hamiltonians on a quantum computer, enabling calculations which were previously not feasible with conventional encoding and ansatses of variational quantum…
We introduce the Cyclic Variational Quantum Eigensolver (CVQE), a hardware-efficient framework for accurate ground-state quantum simulation on noisy intermediate-scale quantum (NISQ) devices. CVQE departs from conventional VQE by…
The coupled cluster method (CCM) is a powerful and widely applied technique of modern-day quantum many-body theory. It has been used with great success in order to understand the properties of quantum magnets at zero temperature. This is…
Quantum chemistry simulations offer a cost-effective way for computational design of BODIPY photosensitizers with potential use in photodynamic therapy (PDT). However, accurate predictions of photophysical properties, such as excitation…
The study of spontaneous supersymmetry breaking (SSB) on the lattice is obstructed by a severe sign problem. Quantum computing provides a promising alternative approach. In particular, properties of supersymmetry relate SSB to the…