Related papers: A Numerical Method for the Efficient Calculation o…
Knowing the rate at which particle radiation releases energy in a material, the stopping power, is key to designing nuclear reactors, medical treatments, semiconductor and quantum materials, and many other technologies. While the nuclear…
The finite element analysis of high frequency vibrations of quartz crystal plates is a necessary process required in the design of quartz crystal resonators of precision types for applications in filters and sensors. The anisotropic…
The folding formalism for the nucleon-nucleus optical potential and inelastic form factor is applied to study elastic and inelastic proton scattering on 30-40S isotopes. A recently developed realistic density dependent M3Y interaction, well…
Molecular dynamic simulations are important in computational physics, chemistry, material, and biology. Machine learning-based methods have shown strong abilities in predicting molecular energy and properties and are much faster than DFT…
We investigate the calculation of the magnetic form factors of nano-objects with complex geometrical shapes and non homogeneous magnetization distributions. We describe a numerical procedure which allows to calculate the 3D magnetic form…
The primary observable in dark matter direct detection is the spectrum of scattering events. We simulate multiple positive direct detection signals (on germanium, xenon, and argon targets) to explore the extent to which the underlying…
A fast spectral-domain method is proposed to evaluate the reaction terms between the Macro Basis Functions in regular and non-regular arrays made of identical printed antennas. The presented technique first exploits the filtering…
Many media are divided into elementary units with irregular shape and size, as exemplified by domains in magnetic materials, bubbles in foams, or cells in biological tissues. Such media are essentially characterized by geometrical disorder…
Anisotropic target materials are promising candidates for dark matter direct detection experiments, providing a directional sensitivity that can be used to distinguish a dark matter (DM) signal from the various Standard Model backgrounds.…
A method for automatic computation of parameter derivatives of numerically computed light scattering signals is demonstrated. The finite-element based method is validated in a numerical convergence study, and it is applied to investigate…
In traditional finite-temperature Kohn-Sham density functional theory (KSDFT), the well-known orbitals wall restricts the use of first-principles molecular dynamics methods at extremely high temperatures. However, stochastic density…
Wavefront-shaping is a promising approach for imaging fluorescent targets deep inside scattering tissue despite strong aberrations. It enables focusing an incoming illumination into a single spot inside tissue, as well as correcting the…
We introduce AceFF, a pre-trained machine learning interatomic potential (MLIP) optimized for small molecule drug discovery. While MLIPs have emerged as efficient alternatives to Density Functional Theory (DFT), generalizability across…
We extend the formalism of dark matter directional detection to arbitrary one-body dark matter-nucleon interactions. The new theoretical framework generalizes the one currently used, which is based on 2 types of dark matter-nucleon…
The NL-eEDM collaboration is building an experimental setup to search for the permanent electric dipole moment of the electron in a slow beam of cold barium fluoride molecules [Eur. Phys. J. D, 72, 197 (2018)]. Knowledge of molecular…
Dark matter direct detection experiments are designed to look for the scattering of dark matter particles that are assumed to move with virial velocities $\sim 10^{-3}$. At these velocities, the energy deposition in the detector is large…
The fundamental quantity governing the mechanical and thermodynamic properties of a crystalline solid is its electronic charge density. Yet, its direct use for the rapid prediction of materials properties remains challenging due to its high…
The spectral form factor (SFF) is an important diagnostic of energy level repulsion in random matrix theory (RMT) and quantum chaos. The short-time behavior of the SFF as it approaches the RMT result acts as a diagnostic of the ergodicity…
The discovery of new multicomponent inorganic compounds can provide direct solutions to many scientific and engineering challenges, yet the vast size of the uncharted material space dwarfs current synthesis throughput. While the…
Photochemical reactions on semiconductors are anisotropic, since they occur with different rates on surfaces of different orientation. Understanding the origin of this anisotropy is crucial to engineering more efficient photocatalysts. In…