Related papers: Exact quantum dynamics developments for floppy mol…
Magnetic molecules, modelled as finite-size spin systems, are test-beds for quantum phenomena and could constitute key elements in future spintronics devices, long-lasting nanoscale memories or noise-resilient quantum computing platforms.…
Methodological progress is reported in the challenging direction of a black-box-type variational solution of the (ro)vibrational Schr\"odinger equation applicable to floppy, polyatomic systems with multiple large-amplitude motions. This…
The theory of stochastic processes impacts both physical and social sciences. At the molecular scale, stochastic dynamics is ubiquitous because of thermal fluctuations. The Fokker-Plank-Smoluchowski equation models the time evolution of the…
We investigate the dynamics of a cosmological dark matter fluid in the Schr\"odinger formulation, seeking to evaluate the approach as a potential tool for theorists. We find simple wave-mechanical solutions of the equations for the…
Diffusive molecular dynamics is a novel model for materials with atomistic resolution that can reach diffusive time scales. The main ideas of diffusive molecular dynamics are to first minimize an approximate variational Gaussian free energy…
The angular momentum of molecules, or, equivalently, their rotation in three-dimensional space, is ideally suited for quantum control. Molecular angular momentum is naturally quantized, time evolution is governed by a well-known Hamiltonian…
We discuss three different aspects of the quantum dynamics of bio-molecular systems and more generally complex networks in the presence of strongly coupled environments. Firstly, we make a case for the systematic study of fundamental…
Large molecules have complex potential-energy surfaces with many local minima. They exhibit multiple stereo-isomers, even at very low temperatures. In this paper we discuss the different approaches for the manipulation of the motion of…
A long-standing quantum-mechanical puzzle is whether the collapse of the wave function is a real physical process or simply an epiphenomenon. This puzzle lies at the heart of the measurement problem. One way to choose between the…
Quantum turbulence shares many similarities with classical turbulence in the isotropic and homogeneous case, despite the inviscid and quantized nature of its vortices. However, when quantum fluids are subjected to rotation, their turbulent…
Aiming at providing an objective motion picture for the microscopic object described by the wave function, new analysis about motion is presented by use of the point set theory in mathematics, through which we show that a new kind of motion…
The motion of a deformable active particle in linear shear flow is explored theoretically. Based on symmetry considerations, in two spatial dimensions, we propose coupled nonlinear dynamical equations for the particle position, velocity,…
The effective classical/quantum dynamics of a particle constrained on a closed line embedded in a higher dimensional configuration space is analyzed. By considering explicit examples it is shown how different reduction mechanisms produce…
The leading nonadiabatic corrections to rovibrational levels of a diatomic molecule are expressed in terms of three functions of internuclear distance: corrections to the adiabatic potential, the effective nuclear mass, and the effective…
Quantum-matter theory (QMT), based on the Schr\"odinger or Dirac equations, is firmly established for both intra- and intermolecular interactions. However, there are two key issues with QMT. First, its applicability to large molecular…
The behavior of polyatomic molecules around their equilibrium positions can be regarded as quantum coupled anharmonic oscillators. Solving the corresponding Schr\"odinger equations can interpret or predict experimental spectra of molecules.…
Algorithms are described for efficiently simulating quantum mechanical systems on quantum computers. A class of algorithms for simulating the Schrodinger equation for interacting many-body systems are presented in some detail. These…
We explore how the fundamental problems in quantum molecular dynamics can be modelled using classical simulators (emulators) of quantum computers and the actual quantum hardware available to us today. The list of problems we tackle includes…
Quantum friction, the electromagnetic fluctuation-induced frictional force decelerating an atom which moves past a macroscopic dielectric body, has so far eluded experimental evidence despite more than three decades of theoretical studies.…
We consider three different approaches to analyze the quantum mechanical problems in multi-well potentials: i) the standard matrix diagonalization technique in the basis sets of harmonic oscillator eigenfunctions or plain waves; ii) the…