Related papers: Quantum Information Approach to Dynamical Diffract…
In this paper, we discuss information-theoretic tools for obtaining optimized coarse-grained molecular models for both equilibrium and non-equilibrium molecular dynamics. The latter are ubiquitous in physicochemical and biological…
Using the spectral approach, we analyze the effective properties of a composite which deviates slightly from periodicity. We find that, when the inclusions are randomly displaced from their equilibrium positions, the sharp resonances seen…
Light transmission or diffraction from different quantum phases of cold atoms in an optical lattice has recently come up as a useful tool to probe such ultra cold atomic systems. The periodic nature of the optical lattice potential closely…
We introduce a simulation strategy to consistently couple continuum biomembrane dynamics to the motion of discrete biological macromolecules residing within or on the membrane. The methodology is used to study the diffusion of integral…
Diffraction in time (DIT) is a fundamental phenomenon in quantum dynamics due to time-dependent obstacles and slits. It is formally analogous to diffraction of light, and is expected to play an increasing role to design coherent matter wave…
We propose a new model for the description of complex granular particles and their interaction in molecular dynamics simulations of granular material in two dimensions. The grains are composed of triangles which are connected by deformable…
DNA-functionalized particles have great potential for the design of complex self-assembled materials. The major hurdle in realizing crystal structures from DNA-functionalized particles is expected to be kinetic barriers that trap the system…
We describe a general method to determine the location of a point source of waves relative to a two-dimensional active pixel detector. Based on the inherent structural sensitivity of crystalline sensor materials, characteristic detector…
A coherent x-ray diffraction experiment was performed on an isolated colloidal crystal grain at the coherence beamline P10 at PETRA III. Using azimuthal rotation scans the three-dimensional (3D) scattered intensity in reciprocal space from…
A model for diffusion on a cubic lattice with a random distribution of traps is developed. The traps are redistributed at certain time intervals. Such models are useful for describing systems showing dynamic disorder, such as ion-conducting…
The recently developed information-theoretic approach to crystallographic symmetry classifications and quantifications in two dimensions (2D) from digital transmission electron and scanning probe microscope images is adapted for the…
We proposed a novel approach to coherent imaging of dynamic samples. The inter-frame similarity of the sample's local structures is found to be a powerful constraint in phasing a sequence of diffraction patterns. We devised a new image…
We consider the dynamics of relativistic spin-half particles in quantum graphs with transparent branching points. The system is modeled by combining the quantum graph concept with the one of transparent boundary conditions applied to the…
Tracer-diffusion of small molecules through dense systems of chain polymers is studied within an athermal lattice model, where hard core interactions are taken into account by means of the site exclusion principle. An approximate mapping of…
We present a prototype of behavior of glassy systems driven by quantum dynamics in a quenching protocol by analyzing the random energy model in a transverse field. We calculate several types of dynamical quantum amplitude and find a…
Coherent diffractive imaging has enabled the structural analysis of individual free nanoparticles in a single shot and offers the tracking of their light induced dynamics with unprecedented spatial and temporal resolution. The retrieval of…
We present a mesoscopic approach to granular crystal dynamics, which comprises a three-dimensional finite-element model and a one-dimensional regularized contact model. The approach investigates the role of vibrational-energy trapping…
We study reversible deterministic dynamics of classical charged particles on a lattice with hard-core interaction. It is rigorously shown that the system exhibits three types of transport phenomena, ranging from ballistic, through diffusive…
The recent advent of advanced microfabrication capabilities of microfluidic devices has driven attention towards the behavior of particles in inertial flows within microchannels for applications related to the separation and concentration…
We present a novel method for the analysis of quantum gas microscope images, which uses deep learning to improve the fidelity with which lattice sites can be classified as occupied or unoccupied. Our method is especially suited to…