Related papers: Modelling chemical reactions using semiconductor q…
We theoretically investigate the nonlinear optical response of a heterodimer comprising a semiconductor quantum dot strongly coupled to a metal nanoparticle. The quantum dot is considered as a three-level ladder system with ground,…
The essence of a chemical reaction lies in the redistribution and reorganization of electrons, which is often manifested through electron transfer or the migration of electron pairs. These changes are inherently discrete and abrupt in the…
With advanced fabrication techniques it is possible to make nanoscale electronic structures that have discrete energy levels. Such structures are called artificial atoms because of analogy with true atoms. Examples of such atoms are quantum…
Quantum dots are model systems for quantum thermoelectric behavior because of the ability to control and measure the effects of electron-energy filtering and quantum confinement on thermoelectric properties. Interestingly, nonlinear…
A lot of progress has been made in recent times for simulating accurately the ground state energy of small molecules and their potential energy surface, using quantum-classical hybrid computing architecture. While these single point energy…
Complex quantum simulation workflows are often hindered by incompatible wavefunction representations adopted across different algorithmic frameworks. In particular, the mismatch between the first- and second-quantization formalisms prevents…
An all optical implementation of quantum information processing with semiconductor macroatoms is proposed. Our quantum hardware consists of an array of semiconductor quantum dots and the computational degrees of freedom are energy-selected…
The electronic properties of nanoscale quantum dots are reviewed. The similarities and differences between these `artificial atoms' and real atoms are discussed and, in particular, the effect of electron correlations is examined. It is…
In quantum dot junctions capacitively coupled to a resonator, electron tunneling through the quantum dot can be used to transfer heat between different parts of the system. This includes cooling or heating the electrons in electrodes and…
We demonstrate that a tensor product structure could be obtained by introducing pseudorandom phase sequences into classical fields with two orthogonal modes. Using classical fields modulated with pseudorandom phase sequences, we discuss…
Quantum-classical hybrid algorithms are emerging as promising candidates for near-term practical applications of quantum information processors in a wide variety of fields ranging from chemistry to physics and materials science. We report…
Resonant transfer of energy between excited states in a system of two semiconductor quantum dots is studied theoretically. The model Hamiltonian has been formulated, which allowed describe the impact on the dynamics of the resonant laser…
The quest for improved sampling methods to solve statistical mechanics problems of physical and chemical interest proceeds with renewed efforts since the invention of the Metropolis algorithm, in 1953. In particular, the understanding of…
Future scalable photonic quantum information processing relies on the ability of integrating multiple interacting quantum emitters into a single chip. Quantum dots provide ideal on-chip quantum light sources. However, achieving quantum…
In this article, the interaction of an arbitrary number of quantum dots, behaving as artificial molecules, with different energy levels and multi-mode electromagnetic field is studied. We make the assumption that each quantum dot can be…
Efficient simulation of quantum computers is essential for the development and validation of near-term quantum devices and the research on quantum algorithms. Up to date, two main approaches to simulation were in use, based on either full…
For the investigation of chemical reaction networks, the efficient and accurate determination of all relevant intermediates and elementary reactions is mandatory. The complexity of such a network may grow rapidly, in particular if reactive…
In quantum/classical (QM/CM) partitioning methods for multi-scale modeling, one is often forced to introduce uncontrolled phenomenological effects of the environment (CM) in the quantum (QM) domain as ab initio quantum calculations are…
We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…
We perform quantum Monte Carlo (QMC) calculations to determine minimum energy pathways of simple chemical reactions, and compare the computed geometries and reaction barriers with those obtained with density functional theory (DFT) and…