Related papers: Probing quantum coherence in ultrafast molecular p…
An alternative approach to decoherence, named non-dynamical decoherence is developed and used to resolve the quantum measurement problem. According to decoherence, the observed system is open to a macroscopic apparatus(together with a…
In molecular systems, the ultrafast motion of electrons initiates the process of chemical change. Tracking this electronic motion across molecules requires coupling attosecond time resolution to atomic-scale spatial sensitivity. In this…
Understanding complex quantum dynamics in realistic materials requires insight into the underlying correlations dominating the interactions between the participating particles. Due to the wealth of information involved in these processes,…
We discuss the role of quantum coherence in the energy fluctuations of open quantum systems. To this aim, we introduce a protocol, to which we refer to as the end-point-measurement scheme, allowing to define the statistics of energy changes…
In this paper, we propose a cost-reduced method for finite-temperature molecular dynamics on a near-term quantum computer, Quantum Car-Parrinello molecular dynamics (QCPMD). One of the most promising applications of near-term quantum…
We present the results of studying the influence of different environmental states on the coherence of quantum processes. We choose to discuss a simple model which describe two electronic reservoirs connected through tunneling via a…
Extracting the Hamiltonian of interacting quantum-information processing systems is a keystone problem in the realization of complex phenomena and large-scale quantum computers. The remarkable growth of the field increasingly requires…
We present a new method which combines Car-Parrinello and Born-Oppenheimer molecular dynamics in order to accelerate density functional theory based ab-initio simulations. Depending on the system a gain in efficiency of one to two orders of…
Besides their stunning physical properties which are unmatched in a classical world, squeezed states of electromagnetic radiation bear advanced application potentials in quantum information systems and precision metrology, including…
Coherence is a defining property of quantum theory that accounts for quantum advantage in many quantum information tasks. Although many coherence quantifiers have been introduced in various contexts, the lack of efficient methods to…
Photo-induced processes are fundamental in nature, but accurate simulations are seriously limited by the cost of the underlying quantum chemical calculations, hampering their application for long time scales. Here we introduce a method…
Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…
In this work we investigate the relation between quantum measurements and decoherence, in order to formally express the necessity of the latter for obtaining an informative output from the former. To this aim, referring to the Von Neumann…
Ultracold atomic systems offer a unique tool for understanding behavior of matter in the quantum degenerate regime, promising studies of a vast range of phenomena covering many disciplines from condensed matter to quantum information and…
Discoveries of fundamental limits for the rates of physical processes, from the speed of light to the Lieb-Robinson bound for information propagation, often lead to breakthroughs in the our understanding of the underlying physics. Here we…
Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced,…
Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not in general applicable to soft, chemically inhomogeneous systems. The…
We present a new formulation of ab initio molecular dynamics which exploits the efficiency of plane waves in adaptive curvilinear coordinates, and thus provides an accurate treatment of first-row elements. The method is used to perform a…
As the lynchpin of all quantum correlations, quantum coherence is fundamental for distinguishing quantum systems from classical ones and is essential for realizing quantum advantages in areas such as computation, communication, and…
A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…