Related papers: A Semiclassical Framework for Mixed Quantum Classi…
Often quantum systems are not isolated and interactions with their environments must be taken into account. In such open quantum systems these environmental interactions can lead to decoherence and dissipation, which have a marked influence…
Ab initio methods for electronic structure of molecules have reached a satisfactory accuracy for calculation of static properties, but remain too expensive for quantum dynamical calculations. We propose an efficient semiclassical method for…
By considering (non-relativistic) quantum mechanics as it is done in practice in particular in condensed-matter physics, it is argued that a deterministic, unitary time evolution within a chosen Hilbert space always has a limited scope,…
We provide an overview of a canonical formalism that describes mixed quantum-classical systems in terms of statistical ensembles on configuration space, and discuss applications to measurement theory. It is shown that the formalism allows a…
Classical simulation of real-space quantum dynamics is challenging due to the exponential scaling of computational cost with system dimensions. Quantum computer offers the potential to simulate quantum dynamics with polynomial complexity;…
Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many…
We develop classical simulation algorithms for adaptive quantum circuits that produce states with low levels of ``magic'' (i.e., non-stabilizerness). These algorithms are particularly well-suited to circuits with high rates of Pauli…
Hybrid automata are a natural framework for modeling and analyzing systems which exhibit a mixed discrete continuous behaviour. However, the standard operational semantics defined over such models implicitly assume perfect knowledge of the…
Quasiclassical methods for non-adiabatic quantum dynamics can reveal new features of quantum effects, such as tunneling evolution, that are harder to reveal in standard treatments based on wave functions of stationary states. Here, these…
We construct a class of systems for which quantum dynamics can be expanded around a mean field approximation with essentially classical content. The modulus of the quantum overlap of mean field states naturally introduces a classical…
A quantum system interacting with a dilute gas experiences irreversible dynamics. The corresponding master equation can be derived within two different approaches: The fully quantum description in the low-density limit and the semiclassical…
Molecular Dynamics simulations are becoming a powerful tool for examining and predicting atomic and molecular processes in various environment. The present review shows how, in the fields of plasma physics, chemistry and interactions with…
The notion of semi-classical states is first sharpened by clarifying two issues that appear to have been overlooked in the literature. Systems with linear and quadratic constraints are then considered and the group averaging procedure is…
We present QDK/Chemistry, a software toolkit for quantum chemistry workflows targeting quantum computers. The toolkit addresses a key challenge in the field: while quantum algorithms for chemistry have matured considerably, the…
We conducted quantum simulations of strongly correlated systems using the quantum flow (QFlow) approach, which enables sampling large sub-spaces of the Hilbert space through coupled eigenvalue problems in reduced dimensionality active…
This study established a quantum-classical hybrid framework that integrates quantum computing paradigm with meshfree finite particle method. By harnessing quantum superposition and entanglement, it hybridized the critical computational…
Quantum dynamics can be regarded as a generalization of classical finite-state dynamics. This is a familiar viewpoint for workers in quantum computation, which encompasses classical computation as a special case. Here this viewpoint is…
An $S$--matrix approach is developed for the chaotic dynamics of a nonlinear oscillator with dissipation. The quantum--classical crossover is studied in the framework of the semiclassical expansion for the $S$--matrix. Analytical…
The adoption of detailed mechanisms for chemical kinetics often poses two types of severe challenges: First, the number of degrees of freedom is large; and second, the dynamics is characterized by widely disparate time scales. As a result,…
In the framework of semiclassical theory the universal properties of quantum systems with classically chaotic dynamics can be accounted for through correlations between partner periodic orbits with small action differences. So far, however,…