相关论文: Pushing the hyperpolarizability to the limit
Polarizability plays an essential role in characterizing key phenomena, such as the screening effects, collective excitations, and dielectric functions present in the system. In three-dimensional materials, it typically comprises an…
We study the dissipation enhancement by cellular flows. Previous work by Iyer, Xu, and Zlato\v{s} produces a family of cellular flows that can enhance dissipation by an arbitrarily large amount. We improve this result by providing…
Based on the extended optical model approach in which the polarization potential is decomposed into direct reaction (DR) and fusion parts, simultaneous $\chi^{2}$ analyses are performed for elastic scattering and fusion cross section data…
We develop the first theoretical model for the analytical description of ion concentration polarization (ICP)-based electrokinetic molecular concentration, which had not been possible due to the extraordinary complexity of the system. We…
We extend some of our earlier results on the interconnection between ultrafilter extensions, and ultrapowers. Throughout we restrict ourselves to relational structures with one binary relation. Recently it was shown that for bounded…
To identify reliable molecular design principles for energy level tuning in donor/acceptor conjugated polymers (CPs), we studied the governing factors by means of ab initio calculations based on density-functional theory (DFT). We…
A complex potential is a holomorphic function $\Omega:\mathbb{C} \to \mathbb{C}$ whose real and imaginary parts generate a pair of orthogonal foliations, representing the equipotential lines and the streamlines of $\dot{z} =…
Near-zero-refractive index materials display unique optical properties such as perfect transmission through distorted waveguides, cloaking, and inhibited diffraction. Compared to conventional media, they can fundamentally behave differently…
Finding point configurations, that yield the maximum polarization (Chebyshev constant) is gaining interest in the field of geometric optimization. In the present article, we study the problem of unconstrained maximum polarization on compact…
We derive upper bounds for the potential energy of spherical designs of cardinality close to the Delsarte-Goethals-Seidel bound. These bounds are obtained by linear programming with the use of the Hermite interpolating polynomial of the…
In this paper, we study a maximization and a minimization problem associated with a Poisson boundary value problem. Optimal solutions in a set of rearrangements of a given function define stationary and stable flows of an ideal fluid in two…
Bounds on the exchange-correlation energy of many-electron systems are derived and tested. By using universal scaling properties of the electron-electron interaction, we obtain the exponent of the bounds in three, two, one, and quasi-one…
A general method is presented for determining the maximum electric energy in a bounded region of optical fields with given time-averaged flux of electromagnetic energy. Time-harmonic fields are considered whose plane wave expansion consists…
The shift of atomic energy levels due to hadronic vacuum polarization is evaluated in a semiempirical way for hydrogenlike ions and for muonic hydrogen. A parametric hadronic polarization function obtained from experimental cross sections…
A variety of large-scale machine learning problems can be cast as instances of constrained submodular maximization. Existing approaches for distributed submodular maximization have a critical drawback: The capacity - number of instances…
Aqueous solutions of rare gases are studied by computer simulation employing a polarizable potential for both water and solutes. The use of a polarizable potential allows to study the systems from ambient to supercritical conditions for…
While optical technology provides the best solution for the transmission of information, optical logics still calls for qualitative new concepts to be explored. Exciton-polaritons are composite particles, resulting from the strong coupling…
Interfaces between demixed fluid phases of binary mixtures of hard platelets are investigated using density-functional theory. The corresponding excess free energy functional is calculated within a fundamental measure theory adapted to the…
Brownian escape is key to a wealth of physico-chemical processes, including polymer folding, and information storage. The frequency of thermally activated energy barrier crossings is assumed to generally decrease exponentially with…
The project aims to explore a novel way to design and produce cellular materials with good energy absorption and recoverability properties. Spinodoid structures offer an alternative to engineering structures such as honeycombs and foam with…