Related papers: Compactifying the Electronic Wavefunction II: Quan…
Precision measurements at electron-positron colliders provide stringent tests of the Standard Model and powerful probes of possible higher-dimensional interactions. We present a hybrid quantum-classical framework for computing leading-order…
Quantum machine learning (QML) has emerged as an important area for Quantum applications, although useful QML applications would require many qubits. Therefore our paper is aimed at exploring the successful application of the Quantum…
By the use of complete orthonormal sets of nonrelativistic scalar orbitals introduced by the author in previous papers the new complete orthonormal basis sets for two-and four-component spinor wave functions, and Slater spinor orbitals…
In this paper, by mapping datasets to a set of non-linear coherent states, the process of encoding inputs in quantum states as a non-linear feature map is re-interpreted. As a result of this fact that the Radial Basis Function is recovered…
The Variational Quantum Eigensolver (VQE) is a promising algorithm for future Noisy Intermediate-Scale Quantum (NISQ) devices to simulate chemical systems. In this paper, we consider the classical simulation of the iterative Qubit Coupled…
Loop Quantum Gravity heavily relies on a connection formulation of General Relativity such that 1. the connection Poisson commutes with itself and 2. the corresponding gauge group is compact. This can be achieved starting from the Palatini…
In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We then focus on a more traditional metric based on dominant…
We propose a system of real-space envelope function equations without fitting parameters for modeling the electronic spectrum and wave functions of a phosphorus donor atom embedded in silicon. The approach relies on the Burt-Foreman…
Protocols for quantum measurement are an essential part of quantum computing. Measurements are no longer confined to the final step of computation but are increasingly embedded within quantum circuits as integral components of…
We extend the definition of the recently introduced valence bond entanglement entropy to arbitrary SU(2) wave functions of S=1/2 spin systems. Thanks to a reformulation of this entanglement measure in terms of a projection, we are able to…
Understanding the quantum dynamics of spin defects and their coherence properties requires accurate modeling of spin-spin interaction in solids and molecules, for example by using spin Hamiltonians with parameters obtained from…
Variational algorithms are a promising paradigm for utilizing near-term quantum devices for modeling electronic states of molecular systems. However, previous bounds on the measurement time required have suggested that the application of…
We have implemented the so called GW approximation (GWA) based on an all-electron full-potential Projector Augmented Wave (PAW) method. For the screening of the Coulomb interaction W we tested three different plasmon-pole dielectric…
We derive a nonsymmetrized 8-band effective-mass Hamiltonian for quantum-dot heterostructures (QDHs) in Burt's envelope-function representation. The 8x8 radial Hamiltonian and the boundary conditions for the Schroedinger equation are…
Structure-based virtual screening (SBVS) is a key computational strategy for identifying potential drug candidates by estimating the binding free energies (delta G_bind) of protein-ligand complexes. The immense size of chemical libraries,…
Gravitational radiation offers a unique possibility to study the large-scale structure of the Universe, gravitational wave sources and propagation in a completely novel way. Given that gravitational wave maps contain a wealth of…
Variational quantum algorithms provide a direct, physics-based approach to protein structure prediction, but their accuracy is limited by the coarse resolution of the energy landscapes generated on current noisy devices. We propose a hybrid…
The variational quantum eigensolver (VQE) has emerged as one of the leading quantum algorithms for solving electronic structure problems on near-term noisy intermediate-scale quantum devices. However, its practical application to quantum…
Multivariate (MTV) porous materials exhibit unique structural complexities based on diverse spatial arrangements of multiple building block combinations. These materials possess potential synergistic functionalities that exceed the sum of…
We propose to use wavefunction overlaps obtained from a quantum computer as inputs for the classical split-amplitude techniques, tailored and externally corrected coupled cluster, to achieve balanced treatment of static and dynamic…