Related papers: Local Surrogates for Harmonic Vibrational Entropy …
To quantify the complexity of a system, entropy-based methods have received considerable critical attentions in real-world data analysis. Among numerous entropy algorithms, amplitude-based formulas, represented by Sample Entropy, suffer…
In mechanical structures like airplanes, cars and houses, noise is generated and transmitted through vibrations. To take measures to reduce this noise, vibrations need to be simulated with expensive numerical computations. Deep learning…
We introduce an exactly solvable lattice model that reveals a universal finite-size scaling law for configurational entropy driven purely by geometry. Using exact enumeration via Burnside's lemma, we compute the entropy for diverse 1D, 2D,…
Optimizing the reliability and the robustness of a design is important but often unaffordable due to high sample requirements. Surrogate models based on statistical and machine learning methods are used to increase the sample efficiency.…
We consider the lattice dynamics in the harmonic approximation for We consider the lattice dynamics in the harmonic approximation for a simple hypercubic lattice with arbitrary unit cell. The initial data are random according to a…
Traditionally, X-ray scattering techniques have been used to detect the breaking of the structural symmetry of the lattice, which accompanies a periodic displacement of the atoms associated with charge density wave (CDW) formation in the…
Solid-state high-harmonic spectroscopy allows the study of strongly driven ultrafast electron dynamics. Microscopically, high harmonics are generated by strong-laser-field acceleration of electron-hole pairs through the lattice. At finite…
Here we investigate how local properties of particles in a thermal bath influence the thermodynamics of the bath. We utilize nanothermodynamics, based on two postulates: that small systems can be treated self-consistently by coupling to an…
The paper is focused on the dynamic homogenization of lattice-like materials with lumped mass at the nodes to obtain energetically consistent models providing accurate descriptions of the acoustic behavior of the discrete system. The…
We present a simple and efficient scheme to reduce atom-number fluctuations in optical lattices. The interaction-energy difference for atoms in different vibrational states is used to remove excess atomic occupation. The remaining vacant…
We introduce a discrete lossy system, into which a double hot spot (HS) is inserted, i.e., two mutually symmetric sites carrying linear gain and cubic nonlinearity. The system can be implemented as an array of optical or plasmonic…
Spinless fermions on highly frustrated lattices are characterized by a lowest single-particle band which is completely flat. Concrete realizations are provided by the sawtooth chain and the kagome lattice. For these models a real-space…
The surrogate matrix methodology delivers low-cost approximations of matrices (i.e., surrogate matrices) which are normally computed in Galerkin methods via element-scale quadrature formulas. In this paper, the methodology is applied to a…
We consider a sublattice-symmetric free-fermion model on a one-dimensional lattice with random hopping amplitudes decaying with the distance as $|t_l|\sim l^{-\alpha}$, and address the question how far an analogue of the random-singlet…
We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbitals as a basis set for the electronic states. The (harmonic)…
We measure pressure and entropy of ultracold fermionic atoms in an optical lattice for a range of interaction strengths, temperatures and fillings. Our measurements demonstrate that, for low enough temperatures, entropy-rich regions form…
Quantum gases in optical lattices offer an opportunity to experimentally realize and explore condensed matter models in a clean, tunable system. We investigate the Bose-Hubbard model on a microscopic level using single atom-single lattice…
In this work we illustrate our novel quantitative simulation approach for dense amorphous polymer systems, as discussed in our previous work[Kulkarni et al., A Novel Approach for Lattice Simulations of Polymer Chains in Dense Amorphous…
Monte Carlo (MC) sampling is a popular method for estimating the statistics (e.g. expectation and variance) of a random variable. Its slow convergence has led to the emergence of advanced techniques to reduce the variance of the MC…
The two-phase thermodynamic (2PT) model {[}J. Chem. Phys., \textbf{119}, 11792 (2003){]} provides a promising paradigm to efficiently determine the ionic entropies of liquids from molecular dynamics (MD). In this model, the vibrational…