Related papers: Bohmian pathways into chemistry: A brief overview
This paper extends the Madelung-Bohm formulation of quantum mechanics to describe the time-reversible interaction of classical and quantum systems. The symplectic geometry of the Madelung transform leads to identifying hybrid…
This work is about Bohmian mechanics, a non-relativistic quantum theory about the motion of particles and their trajectories, named after its inventor David Bohm (Bohm,1952). This mechanics resolves all paradoxes associated with the…
The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…
A Lagrangian description is presented which can be used in conjunction with particle interpretations of quantum mechanics. A special example of such an interpretation is the well-known Bohm model. The Lagrangian density introduced here also…
We explain why, in a configuration space that is multiply connected, i.e., whose fundamental group is nontrivial, there are several quantum theories, corresponding to different choices of topological factors. We do this in the context of…
Quantum computational chemistry is a potential application of quantum computers that is expected to effectively solve several quantum-chemistry problems, particularly the electronic structure problem. Quantum computational chemistry can be…
Bohmian mechanics is a theory that provides a consistent explanation of quantum phenomena in terms of point particles whose motion is guided by the wave function. In this theory, the state of a system of particles is defined by the actual…
Within Bohm`s interpretation of quantum mechanics particles follow classical trajectories that are determined by the full solution of the time dependent Schroedinger equation. If this interpretation is consistent it must be possible to…
The mathematical formulation of the model for molecular movement of single motor proteins driven by cyclic biochemical reactions in an aqueous environment leads to a drifted Brownian motion characterized by coupled diffusion equations. In…
Stochastic fluctuations of molecule numbers are ubiquitous in biological systems. Important examples include gene expression and enzymatic processes in living cells. Such systems are typically modelled as chemical reaction networks whose…
In this article, we investigate Bohm's view of quantum theory, especially Bohm's quantum potential, from a new perspective. We develop a quasi-Newtonian approach to Bohmian mechanics. We show that to arrive at Bohmian formulation of quantum…
In its standard formulation, quantum mechanics presents a very serious inconvenience: given a quantum system, there is no possibility at all to unambiguously (causally) connect a particular feature of its final state with some specific…
The de Broglie-Bohm ontological interpretation of quantum theory clarifies the understanding of many otherwise counter-intuitive quantum mechanical phenomena. We report here on an application of Bohm's quantum potential to the bonding and…
Quantum information, a field in which great advances have been made in the past decades, now presents opportunities for chemistry. One roadblock to progress, especially for experimental chemical science, is that new concepts and technical…
In recent years, the modeling interest has increased significantly from the molecular level to the atomic and quantum scale. The field of computational chemistry plays a significant role in designing computational models for the operation…
In this study, we use the concept of Bohmian trajectories to present a dynamical and deterministic interpretation for the gravity induced wave function reduction. We shall classify all possible regimes for the motion of a particle, based on…
Artificial chemistry simulations produce many intriguing emergent behaviors, but they are often difficult to steer or control. This paper proposes a method for steering the dynamics of a classic artificial chemistry model, known as AlChemy…
We study the de Broglie-Bohm interpretation of bosonic relativistic quantum mechanics and argue that the negative densities and superluminal velocities that appear in this interpretation do not lead to inconsistencies. After that, we study…
In computer simulations, quantum delocalization of atomic nuclei can be modeled making use of the Path Integral (PI) formulation of quantum statistical mechanics. This approach, however, comes with a large computational cost. By restricting…
Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…