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In the calculation of thermodynamic properties and three dimensional structures of macromolecules, such as proteins, it is important to have a good algorithm for computing solvent accessible surface area of macromolecules. Here we propose a…
A quantum-mechanical formulation of energy transfer between closely-spaced surfaces is given. Coupling between the two surfaces arises from the atomic dipole-dipole interaction involving transverse-photon exchange. The exchange of photons…
In the span of four decades, quantum computation has evolved from an intellectual curiosity to a potentially realizable technology. Today, small-scale demonstrations have become possible for quantum algorithmic primitives on hundreds of…
Quantum computers (QCs), which work based on the law of quantum mechanics, are expected to be faster than classical computers in several computational tasks such as prime factoring and simulation of quantum many-body systems. In the last…
Josephson junctions have demonstrated enormous potential as qubits for scalable quantum computing architectures. Here we discuss the current approaches for making multi-qubit circuits and performing quantum information processing with them.
The transition states and dividing surfaces used to find rate constants for bimolecular reactions are shown to undergo qualitative changes, known as Morse bifurcations, and to exist for a large range of energies, not just immediately above…
Reaction cross sections of carbon isotopes for proton scattering are calculated in large energy region. Density distributions of carbon isotopes are obtained from relativistic mean field results. Calculations are based on two procedures:…
We introduce new rounding methods to improve the accuracy of finite precision quantum arithmetic. These quantum rounding methods are applicable when multiple samples are being taken from a quantum program. We show how to use multiple…
A unitary coupled-cluster (UCC) form for the wavefunction in the variational quantum eigensolver has been suggested as a systematic way to go beyond the mean-field approximation and include electron correlation in solving quantum chemistry…
In reactions the wave packets of the emerging products typically are not eigenstates of particle number operators or any other conserved quantities and their properties are entangled. I describe a particle projection technique in parts of…
The yardstick of new first-principles approaches to key points on reaction paths at metal surfaces is chemical accuracy compared to reliable experiment. By this we mean that such values as the activation barrier are required to within 1…
On the basis of the proposed algorithm for calculation of the hadron reaction rates, the space-time structure of the relativistic nucleus-nucleus collisions is studied. The reaction zones and the reaction frequencies for various types of…
Quantum Computing (QC) is undergoing a high rate of development, investment and research devoted to its improvement.However, there is little consensus in the industry and wider literature as to what improvement might consist of beyond…
Connecting multiple processors via quantum interconnect technologies could help overcome scalability issues in single-processor quantum computers. Transmission via these interconnects can be performed more efficiently using quantum…
Quantum computing, an innovative computing system carrying prominent processing rate, is meant to be the solutions to problems in many fields. Among these realms, the most intuitive application is to help chemical researchers correctly…
We discuss how quantum information distribution can improve the performance of some quantum computation tasks. This distribution can be naturally implemented with different types of quantum cloning procedures. We give two examples of tasks…
The characterization of quantum processes is a key tool in quantum information processing tasks for several reasons: on one hand, it allows to acknowledge errors in the implementations of quantum algorithms; on the other, it allows to…
Planning energy production is a challenging task due to its cost-sensitivity, fast-moving energy markets, uncertainties in demand, and technical constraints of power plants. Thus, more complex models of this so-called \emph{unit commitment…
In many biological situations, a species arriving from a remote source diffuses in a domain confined between two parallel surfaces until it finds a binding partner. Since such a geometric shape falls in between two- and three-dimensional…
We propose a new method for identifying cutting locations for quantum circuit cutting, with a primary focus on partitioning circuits into three or more parts. Under the assumption that the classical postprocessing function is decomposable,…