相关论文: How wet should be the reaction coordinate for liga…

We have developed a one-dimensional code to solve ultra-relativistic hydrodynamic problems, using the Glimm method for an accurate treatment of shocks and contact discontinuities. The implementation of the Glimm method is based on an exact…

Most model reduction methods reduce the state dimension and then temporally evolve a set of coefficients that encode the state in the reduced representation. In this paper, we instead employ an efficient representation of the entire…

The optimized-effective-potential (OEP) method is a special technique to construct local Kohn-Sham potentials from general orbital-dependent energy functionals. In a recent publication [M. Betzinger, C. Friedrich, S. Bl\"ugel, A. G\"orling,…

We analyze collisional decoherence of atoms or molecules prepared in a coherent superposition of nondegenerate internal states at ultralow temperatures and placed in an ultracold buffer gas. Our analysis is applicable for an arbitrary bath…

Rod shaped objects suspended in a flowing liquid might be orientated by the velocity, nature of the liquid, the flow and the geometry of the channel containing the flow. Orientation settings might enhance or inhibit certain chemical…

Entropic regularization provides a simple way to approximate linear programs whose constraints split into two or more tractable blocks. The resulting objectives are amenable to cyclic Kullback-Leibler (KL) Bregman projections, with…

Numerical Weather Prediction (NWP) can reduce human suffering by predicting disastrous precipitation in time. A commonly-used NWP in the world is the European Centre for medium-range weather forecasts (EC). However, it is necessary to…

We discuss capability of Smooth Particle Hydrodynamics to represent adequately the dynamics of self-gravitating systems, in particular for what regards the quality of approximation of force fields in the motion equations. When cubic spline…

A Skeleton-stabilized IsoGeometric Analysis (SIGA) technique is proposed for incompressible viscous flow problems with moderate Reynolds number. The proposed method allows utilizing identical finite dimensional spaces (with arbitrary…

Classical free energies for the cage and prism isomers of water hexamer computed by the self- consistent phonons (SCP) method and reversible scaling (RS) method are presented for several flexible water potentials. Both methods have been…

We examine the momentum and energy dependence of the scattering rate of the high temperature cuprate superconductors using angle resolved photoemission spectroscopy. The scattering rate is of the form a + bw around the Fermi surface for…

The effect of random surface roughness on hydrodynamics of viscous incompressible liquid is discussed. Roughness-driven contributions to hydrodynamic flows, energy dissipation, and friction force are calculated in a wide range of…

We propose that the reason for the non-ideal behavior seen in lattice simulation of quark gluon plasma (QGP) and relativistic heavy ion collisions (URHICs) experiments is that the QGP near T_c and above is strongly coupled plasma (SCP),…

We present the statistical method to study the interaction between a chosen protein and another molecule (e.g., both being components of lubricin found in synovial fluid) in a water environment. The research is performed on the example of…

When examining dynamics occurring at non-zero temperatures, both energy and entropy must be taken into account while describing activated barrier crossing events. Furthermore, good reaction coordinates need to be constructed to describe…

Under mild conditions on the noise level of the measurements, rotation averaging satisfies strong duality, which enables global solutions to be obtained via semidefinite programming (SDP) relaxation. However, generic solvers for SDP are…

In this work, an improved methodology for studying interactions of proteins in solution by small-angle scattering, is presented. Unlike the most common approach, where the protein-protein correlation functions $g_{ij}(r)$ are approximated…

We introduce a new Swarm-Based Gradient Descent (SBGD) method for non-convex optimization. The swarm consists of agents, each is identified with a position, ${\mathbf x}$, and mass, $m$. The key to their dynamics is communication: masses…

We study the superfluid response of a dilute bosonic fluid in the presence of two-dimensional composite potentials (such as triangular, Kagom\'e and quasiperiodic potentials, or superlattices), which may be obtained for example by…

Although uncertainty quantification has been making its way into nuclear theory, these methods have yet to be explored in the context of reaction theory. For example, it is well known that different parameterizations of the optical…