Related papers: A Numerical Method for the Efficient Calculation o…
Advanced materials often consist of multiple elements which are arranged in a complicated structure. Quantitative scanning transmission electron microscopy is useful to determine the composition and thickness of nanostructures at the atomic…
Fast and accurate molecular force field (FF) parameterization is still an unsolved problem. Accurate FFs are not generally available for all molecules, like novel druglike molecules. While methods based on quantum mechanics (QM) exist to…
The atomic pair distribution function (PDF) for nano-particles has to be corrected with a shape factor, also known as form factor, in order to take size and shape effects into consideration. For most anisotropic shapes an analytical…
We show that the rate for dark matter-electron scattering in an arbitrary material is determined by an experimentally measurable quantity, the complex dielectric function, for any dark matter interaction that couples to electron density.…
In the last decade direct detection Dark Matter (DM) experiments have increased enormously their sensitivity and ton-scale setups have been proposed, especially using germanium and xenon targets with double readout and background…
Form factor bootstrap approach is applied for diagonal scattering theories. We consider the ADE theories and determine the functional equations satisfied by the minimal two-particle form factors. We also determine the parameterization of…
Theoretical calculations of neutralino-nucleon interaction rates with various nuclei are of great interest to direct dark matter searches such as CDMS, EDELWEISS, ZEPLIN, and other experiments since they are used to establish upper bounds…
This review presents a concise, yet comprehensive discussion on the evolution of theoretical methods employed to determine the ground and excited states of molecules in weak and strong magnetic fields. The weak-field cases have been studied…
The scattering of dark matter particles off nuclei in direct detection experiments can be described in terms of a multidimensional effective field theory (EFT). A new systematic analysis technique is developed using the EFT approach and…
Direct detection for sub-GeV dark matter is developing rapidly, with many novel experimental ideas and theoretical methods emerging. In this work, we extend the dielectric formalism for dark matter scattering to incorporate anisotropic…
The time-dependent modulation of the event rate in dark matter direct detection experiments, arising from the motion of the Earth with respect to the Galactic rest frame, is a distinctive signature whose observation is crucial for claiming…
We extend the calculation of dark matter direct detection rates via electronic transitions in general dielectric crystal targets, combining state-of-the-art density functional theory calculations of electronic band structures and wave…
X-ray Thomson scattering (XRTS) constitutes an essential technique for diagnosing material properties under extreme conditions, such as high pressures and intense laser heating. Time-dependent density functional theory (TDDFT) is one of the…
The purpose of this study is threefold: first, to identify a scheme for the determination of the surface energy coefficient a_surf that offers the best compromise between robustness, precision, and numerical efficiency; second, to analyze…
A new integration method drastically improves the efficiency of the dark matter direct detection calculation. In this work I introduce a complete, orthogonal basis of spherical wavelet-harmonic functions, designed for the new vector space…
Accurate predictions of inclusive scattering cross sections in the linear response regime require efficient and controllable methods to calculate the spectral density in a strongly-correlated many-body system. In this work we reformulate…
Scattering by an isolated defect embedded in a dielectric medium of two dimensional periodicity is of interest in many sub-fields of electrodynamics. Present approaches to compute this scattering rely either on the Born approximation and…
Ranking the binding of small molecules to protein receptors through physics-based computation remains challenging. Though inroads have been made using free energy methods, these fail when the underlying classical mechanical force fields are…
Materials' microstructure strongly influences its performance and is thus a critical aspect in design of functional materials. Previous efforts on microstructure mediated design mostly assume isotropy, which is not ideal when material…
Uncertainty in physical parameters can make the solution of forward or inverse light scattering problems in astrophysical, biological, and atmospheric sensing applications, cost prohibitive for real-time applications. For example, given a…