Related papers: Simulation of many-electron systems that exchange …
Modeling the dynamics of a quantum system connected to the environment is critical for advancing our understanding of complex quantum processes, as most quantum processes in nature are affected by an environment. Modeling a macroscopic…
A quantum robot is a mobile quantum system including an on bord quantum computer and ancillary systems, that interact with an environment of quantum systems. Quantum robots carry out tasks whose goals include carrying out measurements and…
Open quantum systems are highly relevant, both for practical applications as well as for fundamental questions about the nature of information and its transfer, encompassing for example decoherence and memory effects. Quantum mechanics…
One of the primary challenges in quantum chemistry is the accurate modeling of strong electron correlation. While multireference methods effectively capture such correlation, their steep scaling with system size prohibits their application…
The rate of electron transfer between a molecular species and a metal, each at a different local temperature, is examined theoretically through implementation of a bithermal (characterized by two temperatures) Marcus formalism. Expressions…
Many key industrial processes, from electricity production, conversion and storage to electrocatalysis or electrochemistry in general, rely on physical mechanisms occurring at the interface between a metallic electrode and an electrolyte…
The plasma-material interactions present in multiple fusion and propulsion concepts between the flow of plasma through a channel and a material wall drive the emission of secondary electrons. This emission is capable of altering the…
In this paper we study theoretically the process of electron capture between one-optical-electron atoms (e.g. hydrogenlike or alkali atoms) and ions at low-to-medium impact velocities ($v/v_e \approx 1$) working on a modification of an…
In high centre-of-mass energy lepton-nucleon collisions the space-time time resolution of partonic processes can be {\it fine-tuned} within a dynamical range which is unattainable in hadronic collisions. Replacing nucleons by nuclei of…
Development of quantum engineering put forward new theoretical problems. Behavior of a single mesoscopic cell (device) we may usually describe by equations of quantum mechanics. However if experimentators gather hundreds of thousands of…
A new model of quantum computation is considered, in which the connections between gates are programmed by the state of a quantum register. This new model of computation is shown to be more powerful than the usual quantum computation, e. g.…
Cosimulation methods allow combination of simulation tools of physical systems running in parallel to act as a single simulation environment for a big system. As data is passed across subsystem boundaries instead of solving the system as…
Quantum computation offers a promising new kind of information processing, where the non-classical features of quantum mechanics can be harnessed and exploited. A number of models of quantum computation exist, including the now well-studied…
The landscape of causal relations that can hold among a set of systems in quantum theory is richer than in classical physics. In particular, a pair of time-ordered systems can be related as cause and effect or as the effects of a common…
This thesis presents studies performed on open quantum systems, that is, quantum systems interacting with their surrounding environment. Such systems are important not only in understanding the quantum-to-classical transition but also for…
A wide variety of experimental results and theoretical investigations in recent years have convincingly demonstrated that several transition metal oxides and other materials, have dominant states that are not spatially homogeneous. This…
Simulating chemical systems is highly sought after and computationally challenging, as the number of degrees of freedom increases exponentially with the size of the system. Quantum computers have been proposed as a computational means to…
Dynamical maps describe general transformations of the state of a physical system, and their iteration can be interpreted as generating a discrete time evolution. Prime examples include classical nonlinear systems undergoing transitions to…
Electron transfer (ET) at electrochemical interfaces is central to energy conversion and storage, yet its theoretical and computational modeling remain active research areas. This review elucidates key concepts and theories of ET kinetics,…
Molecular structure is often considered as emerging from the decoherence effect of the environment. Electrons are part of the environment of the nuclei in a molecule. In this work, their contribution to the classical-like geometrical…