Related papers: Data-Driven Design Rules for TADF Emitters from a …
As modern electronic devices are increasingly miniaturized and integrated, their performance relies more heavily on effective thermal management. Two-phase cooling methods enhanced by porous surfaces, which capitalize on thin-film…
We aim to learn wavefunctions simulated by time-dependent density functional theory (TDDFT), which can be efficiently represented as linear combination coefficients of atomic orbitals. In real-time TDDFT, the electronic wavefunctions of a…
We present a time-dependent density functional theory (TDDFT) based approach to compute the light-matter couplings between two different manifolds of excited states relative to a common ground state. These quantities are the necessary…
Transition Edge Sensors are ultra-sensitive superconducting detectors with applications in many areas of research, including astrophysics. The device consists of a superconducting thin film, often with additional normal metal features, held…
The detection of vibrational excitations of individual molecules on surfaces by scanning tunneling spectroscopy does not obey strict selection rules but rather propensity rules. The experimental verification of these is challenging because…
Open cell foams have diverse industrial applications e.g. heat exchangers, structured reactors, filtration due to their unique properties such as high porosity and high specific surface area. In order to theoretically determine the…
Metal-organic frameworks (MOFs) provide a versatile and tailorable material platform that embody many desirable attributes for photocatalytic water-splitting. The approach taken in this study was to use Density Functional Theory (DFT) to…
Large numbers of low-to-medium resolution spectra of M-type dwarf stars from both the local Galactic disk and halo are available from various surveys. In order to fully exploit these data, we develop a template-fit method using a set of…
We demonstrate the crucial role of small-angle scattering in transverse magnetic focusing (TMF) in ballistic GaAs/AlGaAs heterostructures. Measurements in various samples show that the role significantly depends on their geometry. We…
Detailed physisorption data from experiment for the H_2 molecule on low-index Cu surfaces challenge theory. Recently, density-functional theory (DFT) has been developed to account for nonlocal correlation effects, including van der Waals…
The forms of electron density structures in kinetic Alfven wave turbulence are studied in connection with scintillation. The focus is on small scales $L \sim 10^8-10^{10}$ cm where the Kinetic Alfv\'en wave (KAW) regime is active in the…
The engineering of the optical response of materials is a paradigm that demands microscopic-level accuracy and reliable predictive theoretical tools. Here we compare and contrast the dispersive permittivity tensor, using both a low-energy…
We introduce a method which enables to directly compare the impact of elastic strain on the optical properties of distinct quantum dots (QDs). Specifically, the QDs are integrated in a cross-section of a semiconductor core wire which is…
In the last 10 years, we have observed an important increase of interest in the application of time-dependent energy density functional theory (TD-EDF). This approach allows to treat nuclear structure and nuclear reaction from small to…
The determination of atmospheric parameters of white dwarf stars (WDs) is crucial for researches on them. Traditional methodology is to fit the model spectra to observed absorption lines and report the parameters with the lowest $\chi ^2$…
Si-PIN detectors can be microstructured to achieve angular-selective particle detection capabilities, which we call active Transverse Energy Filter (aTEF). The microstructuring consists of a honeycomb structure of deep hexagonally-shaped…
Modeling the timing performance of light-based radiation detectors accurately is essential for optimizing time-of-flight positron emission tomography (TOF-PET). We present an analytic framework that combines existing models to predict the…
A key challenge in automated chemical compound space explorations is ensuring veracity in minimum energy geometries---to preserve intended bonding connectivities. We discuss an iterative high-throughput workflow for connectivity preserving…
Single-layer transition metal dichalcogenides (TMDCs) can adopt two distinct structures corresponding to different coordination of the metal atoms. TMDCs adopting the T-type structure exhibit a rich and diverse set of phenomena, including…
The tentative hints for a diphoton resonance at a mass of $\sim 750$ GeV from the ATLAS and CMS experiments at the LHC may be interpreted as first contact with a "dark" sector with a spontaneously broken conformal symmetry. The implied TeV…