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It is shown that a wave mechanical quantum theory can be derived from relativistic classical electrodynamics, as a feature of the magnetic interaction of Dirac particles modeled as relativistically circulating point charges. The magnetic…
We design a quantum molecular dynamics method for strongly correlated electron metals. The strong electronic correlation effects are treated within a real-space version of the Gutzwiller variational approximation (GA), which is suitable for…
We develop a combined machine learning (ML) and quantum mechanics approach that enables data-efficient reconstruction of flexible molecular force fields from high-level ab initio calculations, through the consideration of fundamental…
A simple and very flexible variational approach to the out-of-equilibrium quantum dynamics in strongly correlated electron systems is introduced through a time-dependent Gutzwiller wavefunction. As an application, we study the simple case…
We construct the Hamiltonian formulation of the isotropic Universe in a generic metric f(R)-theory in the Jordan frame. We canonically quantize the Universe volume via a polymer formulation, and we adopt the scalar field naturally arising…
Studies of periodically driven one-dimensional many-body systems have advanced our understanding of complex systems and stimulated promising developments in quantum simulation. It is hence of interest to go one step further, by…
We derive equations for the time evolution of the reduced density matrix of a collection of heavy quarks and antiquarks immersed in a quark gluon plasma. These equations, in their original form, rely on two approximations: the weak coupling…
This is the first in a two-part series in which we extend non-relativistic stochastic mechanics, in the ZSM formulation [1, 2], to semiclassical Newtonian gravity (ZSM-Newton) and semiclassical Newtonian electrodynamics (ZSM-Coulomb), under…
Accurately modeling gas-surface collision dynamics presents a great challenge for theory, especially in the low energy (or temperature) regime where quantum effects are important. Here, a path integral based non-equilibrium ring polymer…
It has recently been pointed out that Hamiltonian particle systems in constant magnetic fields satisfy generalized time-reversal symmetries that enable to prove useful statistical relationships based on equilibrium phase-space probability…
It has long been recognized that the dynamics of linear quantum systems is classical in the Wigner representation. Yet many conceptually important linear problems are typically analyzed using such generally applicable techniques as…
In this manuscript, we undertake an examination of a classical plasma deployed on two finite co-planar surfaces: a circular region $\Omega_{in}$ into an annular region $\Omega_{out}$ with a gap in between. It is studied both from the point…
Molecular dynamics with electronic friction (MDEF) approach can describe nonadiabatic effects accurately at metal surfaces in the weak nonadiabatic limit. That being said, MDEF treats nuclear motion classically, such that the nuclear…
We derive an analytical expression of a Wigner function that approximately describes the time evolution of the one-dimensional motion of a particle in a nonharmonic potential. Our method involves two exact frame transformations, accounting…
The quantum dynamics of a bulk-boundary theory is closely examined by the use of the background field method. As an example we take the Mirabelli-Peskin model, which is composed of 5D super Yang-Mills (bulk) and 4D Wess-Zumino (boundary).…
To take into account nuclear quantum effects on the dynamics of atoms, the path integral molecular dynamics (PIMD) method used since 1980s is based on the formalism developed by R. P. Feynman. However, the huge computation time required for…
A controlled hybridization between full quantum dynamics and semiclassical approaches (mean-field and truncated Wigner) is implemented for interacting many-boson systems. It is then demonstrated how simulating the resulting hybrid evolution…
Surprisingly, there exists a quantum flux-side time-correlation function which has a non-zero short-time (t->0+) limit, and thus yields a rigorous quantum generalization of classical transition-state theory (TST). In this Part I of two…
We analyze the time reversible Born-Oppenheimer molecular dynamics (TRBOMD) scheme, which preserves the time reversibility of the Born-Oppenheimer molecular dynamics even with non-convergent self-consistent field iteration. In the linear…
A dynamics of the precession of coupled atomic moments in the tight-binding (TB) approximation is presented. By implementing an angular penalty functional in the energy that captures the magnetic effective fields self-consistently, the…