Related papers: Dynamics and complex formation in charged and unch…
We study the influence of diffusion on NMR experiments when the molecules undergo random motion under the influence of a force field, and place special emphasis on parabolic (Hookean) potentials. To this end, the problem is studied using…
We present a novel dual-stream architecture that achieves state-of-the-art underwater image enhancement by explicitly integrating the Jaffe-McGlamery physical model with capsule clustering-based feature representation learning. Our method…
Photo-physical and nonlinear-optical properties of a new amphiphilic conjugated polymer: hydroxylated pyridyl para-phenylene (Py-PhPPP) both in CH2Cl2 solution and in thin films have been investigated. By using Z-scan technique with…
To analyze hydration effects on macromolecular diffusion, the friction coefficients of macromolecules were examined using molecular dynamics simulations with an all-atom model. In the present study, a method was introduced to decompose the…
When the motion of electrons is restricted to a plane under a perpendicular magnetic field B, a variety of quantum phases emerge at low temperatures whose properties are dictated by the Coulomb interaction and its interplay with disorder.…
The phase separation of a simple binary mixture of incompatible linear polymers in solution is investigated using an extension of the sedimentation equilibrium method, whereby the osmotic pressure of the mixture is extracted from the…
We study both experimentally and theoretically the self-assembly of binary block copolymers in dilute solution, where self-assembly is triggered by changing the solvent from the common good solvent THF to the selective solvent water, and…
Diffusiophoresis (DP) refers to the migration of particles driven by a solute concentration gradient in a liquid. Observations in the case of molecular neutral solutes are rather scarce, due to the low drift velocities in dilute solutions,…
The investigation of the diffusive transport of charged particles in a turbulent magnetic field remains a subject of considerable interest. Research has most frequently concentrated on determining the diffusion coefficient in the presence…
We prove that there exists a diffusion process whose invariant measure is the three dimensional polymer measure $\nu_\lambda$ for all $\lambda>0$. We follow in part a previous incomplete unpublished work of the first named author with M.…
Anomalous diffusion exists widely in polymer and biological systems. Pulsed-field gradient (PFG) anomalous diffusion is complicated, especially in the anisotropic case where limited research has been reported. An general PFG signal…
The fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles, named QM/FQF{\mu} (J. Chem. Theory Comput. 2019, 15, 2233-2245), is extended to the evaluation of nuclear gradients and the calculation of IR spectra…
The movement of motor particles consisting of one or several molecular motors bound to a cargo particle is studied theoretically. The particles move on patterns of immobilized filaments. Several patterns are described for which the motor…
Response functions and fluctuations measured locally in complex materials should equally well characterize mesoscopic-scale dynamics. The fluctuation-dissipation-relation (FDR), relates the two in equilibrium, a fact used regularly, for…
The presence of wrinkles in Graphene Nanoribbons (GNR) and other two-dimensional (2D) materials significantly alter their mechanical, electronic, optical properties, which can be either beneficial or detrimental. Experimentally, it has been…
Various properties of water are affected by confinement as the space-filling of the water molecules is very different from bulk water. In our study, we challenged the creation of a stable system in which water molecules are permanently…
Diffusion properties of a self-avoiding polymer embedded in regularly distributed obstacles with spacing a=20 and confined in two dimensions is studied numerically using the extended bond fluctuation method which we have developed recently.…
We revisit the modeling of ion-neutral (or ambipolar) diffusion with two fluid smoothed particle hydrodynamics, as discussed by Hosking & Whitworth. Some parts of the technique are optimized to testify the pioneer works on behavior of the…
Nuclear magnetic resonance (NMR) spectroscopy is a widely used tool for chemical analysis and molecular structure identification. Because it typically relies on the weak magnetic fields produced by a small thermal nuclear spin polarization,…
Nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) suffer from inherently low sensitivity due to the weak thermal polarization of nuclear spins. Parahydrogen-induced polarization (PHIP) offers a powerful route to enhance…