Related papers: Quantum computing of molecular magnet Mn$_{12}$
Quantum mechanics has introduced a new theoretical framework for the study of molecules, enabling the prediction of properties and dynamics through the solution of the Schr\"odinger equation applied to these systems. However, solving this…
The procedure for simulating the nuclear magnetic resonance spectrum linked to the spin system of a molecule for a certain nucleus entails diagonalizing the associated Hamiltonian matrix. As the dimensions of said matrix grow exponentially…
We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…
Quantum search algorithms are considered in the context of protein sequence comparison in biocomputing. Given a sample protein sequence of length m (i.e m residues), the problem considered is to find an optimal match in a large database…
This paper is a gentle but rigorous introduction to quantum computing intended for discrete mathematicians. Starting from a small set of assumptions on the behavior of quantum computing devices, we analyze their main characteristics,…
The analysis of papers on usage NMR in quantum computations is provided and the probable direction of the future investigations are considered.
The algebraic reformulation of molecular Quantum Electrodynamics (mQED) at finite temperatures is applied to Nuclear Magnetic Resonance (NMR) in order to provide a foundation for the reconstruction of much more detailed molecular…
Given two unsorted lists each of length N that have a single common entry, a quantum computer can find that matching element with a work factor of $O(N^{3/4}\log N)$ (measured in quantum memory accesses and accesses to each list). The…
A proposal for a scalable, solid-state implementation of a quantum computer is presented. Qubits are fluorine nuclear spins in a solid crystal of fluorapatite [Ca_5 F(PO_4)_3] with resonant frequencies separated by a large field gradient.…
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…
Quantum computing is emerging as a new computing resource that could be superior to conventional computing for certain classes of optimization problems. However, in principle, most existing approaches to quantum optimization are intended to…
Quantum computing and the workings of the brain have many aspects in common and have been attracting increasing attention in academia and industry. The computation in both is parallel and non-discrete. Though the underlying physical…
It is known that quantum computers, if available, would allow an exponential decrease in the computational cost of quantum simulations. We extend this result to show that the computation of molecular properties (energy derivatives) could…
It is suggested that the individual outcomes of a measurement process can be understood within standard quantum mechanics in terms of the measuring apparatus, treated as a quantum computer, executing Grover's search algorithm.
The last two decades have seen an explosive growth in the theory and practice of both quantum computing and machine learning. Modern machine learning systems process huge volumes of data and demand massive computational power. As silicon…
Quantum computers with Kerr-nonlinear parametric oscillators (KPOs) have recently been proposed by the author and others. Quantum computation using KPOs is based on quantum adiabatic bifurcations of the KPOs, which lead to quantum…
An electron inside liquid helium forms a bubble of 17 \AA in radius. In an external magnetic field, the two-level system of a spin 1/2 electron is ideal for the implementation of a qubit for quantum computing. The electron spin is well…
In this paper, the application of quantum simulations and quantum machine learning to solve low-energy nuclear physics problems is explored. The use of quantum computing to deal with nuclear physics problems is, in general, in its infancy…
Molecular magnets have received significant attention because of their potential applications in quantum information and quantum computing. A delicate balance of electron correlation, spin-orbit coupling (SOC), ligand field splitting, and…
The angular momentum of molecules, or, equivalently, their rotation in three-dimensional space, is ideally suited for quantum control. Molecular angular momentum is naturally quantized, time evolution is governed by a well-known Hamiltonian…