Related papers: Wigner function quantum molecular dynamics
We study deterministic and quantum dynamics from a constructive "finite" point of view, since the introduction of a continuum, or other actual infinities in physics poses serious conceptual and technical difficulties, without any need for…
The study of quantum chromodynamics (QCD) over the past quarter century has had relatively little impact on the traditional approach to the low-energy nuclear many-body problem. Recent developments are changing this situation. New…
We introduce a numerical method to simulate nonlinear open quantum dynamics of a particle in situations where its state undergoes significant expansion in phase space while generating small quantum features at the phase-space Planck scale.…
Using the supersymmetry approach, we study spectral statistical properties of a two-dimensional quantum particle subject to a non-uniform magnetic field. We focus mainly on the problem of regularisation of the field theory. Our analysis…
Molecular dynamics (MD) simulations provide detailed insight into atomic-scale mechanisms but are inherently restricted to small spatio-temporal scales. Coarse-grained molecular dynamics (CGMD) techniques allow simulations of much larger…
We present a Wigner function-based approach for the particle density evolution in fermionic and bosonic open quantum many-body systems, including the effects of dephasing. In particular, we focus on chains of non-interacting particles…
Understanding the electron dynamics and transport in metallic and semiconductor nanostructures -- such as metallic nanoparticles, thin films, quantum wells and quantum dots -- represents a considerable challenge for today's condensed matter…
Numerical simulation of individual open quantum systems has proven advantages over density operator computations. Quantum state diffusion with a moving basis (MQSD) provides a practical numerical simulation method which takes full advantage…
Branching flow -- a phenomenon known for steady wave propagation in two-dimensional weak correlated random potential is also present in the time-dependent Schr\"odinger equation for a single particle in one dimension, moving in a…
Quantum thermodynamics seeks to extend non-equilibrium stochastic thermodynamics to small quantum systems where non-classical features are essential to its description. Such a research area has recently provided meaningful theoretical and…
We propose a new quantum approach for describing a system of $n$ interacting particles with variable mass connected by an unknown field with variable form ($n$-VMVF systems). Instead of assuming any particular nature for variation of the…
With the continuous growth of processing power for scientific computing, first principles Born-Oppenheimer molecular dynamics (MD) simulations are becoming increasingly popular for the study of a wide range of problems in materials science,…
We introduce the Wigner functional representing a quantum field in terms of the field amplitudes and their conjugate momenta. The equation of motion for the functional of a scalar field point out the relevance of solutions of the classical…
We develop a framework for simulating measure-preserving, ergodic dynamical systems on a quantum computer. Our approach provides a new operator-theoretic representation of classical dynamics by combining ergodic theory with quantum…
The accurate incorporation of nuclear quantum effects in large-scale molecular dynamics (MD) simulations remains a significant challenge. Recently, we combined constrained nuclear-electronic orbital (CNEO) theory with classical MD and…
The few-body problem (with $N \leq 6$ fermionic charge carriers) in isolated moir\'{e} quantum dots (MQDs) in transition metal dichalcogenide (TMD) bilayer materials with integer fillings, $\nu \geq 2$, is investigated by employing…
A formalism for treating modulational interactions of electrostatic fields in collisionless quantum plasmas is developed, based on the kinetic Wigner-Poisson model of quantum plasma. This formalism can be used in a range of problems of…
The Heisenberg equations of motion for a quantum particle of mass $m$ are deduced from the infinitesimal qr-number equations of motion for the particle. The infinitesimal qr-number equations, and hence the standard quantum mechanical…
Active matter denotes a system of particles immersed in an external environment, from which the particles extract energy continuously in order to perform directed motion. Extending the paradigm of active matter to a quantum framework…
The formalism of classical and quantum mechanics on phase space leads to symplectic and Heisenberg group representations, respectively. The Wigner functions give a representation of the quantum system using classical variables. The…