Related papers: Bohmian pathways into chemistry: A brief overview
This is a short review in the theory of chaos in Bohmian Quantum Mechanics based on our series of works in this field. Our first result is the development of a generic theoretical mechanism responsible for the generation of chaos in an…
Bohmian mechanics supplements the quantum wavefunction with deterministic particle trajectories, offering an alternate, dynamical language for quantum theory. However, the Bohmian particle does not affect its guiding wave, so the wave field…
We provide a semiclassical description of the double-slit experiment based on momentous quantum mechanics, where the implementation of canonical variables facilitate the derivation of the equations of motion for the system. We show the…
Bohmian mechanics offers a deterministic alternative to conventional quantum theory through well-defined particle trajectories. While successful in nonrelativistic contexts, its extension to curved spacetime-and hence quantum…
We discuss a recently proposed extension of Bohmian mechanics to quantum field theory. For more or less any regularized quantum field theory there is a corresponding theory of particle motion, which in particular ascribes trajectories to…
Molecular dynamics simulations have the potential to provide atomic-level detail and insight to important questions in chemical physics that cannot be observed in typical experiments. However, simply generating a long trajectory is…
The family of trajectories-based approximations employed in computational quantum physics and chemistry is very diverse. For instance, Bohmian and Heller's frozen Gaussian semiclassical trajectories seem to have nothing in common. Based on…
Bohmian mechanics is a non-relativistic quantum theory based on a particle approach. In this paper we study the Schr\"odinger equation with rapidly oscillating potential and the associated Bohmian trajectory. We prove that the corresponding…
A type of mechanics will be presented that possesses some distinctive properties. On the one hand, its physical description & rules of operation are readily comprehensible & intuitively clear. On the other, it fully satisfies all observable…
Machine learning techniques applied to chemical reactions has a long history. The present contribution discusses applications ranging from small molecule reaction dynamics to platforms for reaction planning. ML-based techniques can be of…
Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical…
Over the past decades, atomistic simulations of chemical, biological and materials systems have become increasingly precise and predictive thanks to the development of accurate and efficient techniques that describe the quantum mechanical…
The indeterministic character of physical laws is generally considered to be the most important consequence of quantum physics. A deterministic point of view, however, together with the possibility of well defined Hamiltonian trajectories,…
We formulate Bohmian mechanics (BM) such that the main objects of concern are macroscopic phenomena, while microscopic particle trajectories only play an auxiliary role. Such a formulation makes it easy to understand why BM always makes the…
Surface diffusion of small adsorbates is analyzed in terms of the so-called intermediate scattering function and dynamic structure factor, observables in experiments using the well-known quasielastic Helium atom scattering and Helium spin…
A key overall goal of biomolecular simulations is the characterization of "mechanism" -- the pathways through configuration space of processes such as conformational transitions and binding. Some amount of heterogeneity is intrinsic to the…
For quantum systems, we expect to see the classical behaviour at the limit of large quantum numbers. Hence, we apply Bohmian approach for describing the evolution of Earth around the Sun. We obtain possible trajectories of the Earth system…
Vortices are known to play a key role in the dynamics of the quantum trajectories defined within the framework of the de Broglie-Bohm formalism of quantum mechanics. It has been rigourously proved that the motion of a vortex in the…
The generic Bohmian trajectories are calculated for an isolated particle in an approximate energy eigenstate, for an arbitrary one-dimensional potential well. It is shown, that the necessary and sufficient condition for there to be a…
This paper is an introduction to the ideas of Bohmian mechanics, an interpretation of quantum mechanics in which the observer plays no fundamental role. Bohmian mechanics describes, instead of probabilities of measurement results, objective…