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The influence of reaction order and trap-assisted recombination on continuous-wave photoinduced absorption measurements is clarified through analytical calculations and numerical simulations. The results reveal the characteristic influence…
{Abridged} We investigate the observability of cold accretion streams at redshift 3 via Lyman-alpha (Lya) emission and the feasibility of cold accretion as the main driver of Lya blobs (LABs). We run cosmological zoom simulations focusing…
A modified Thickened Flame (TF) model based on Large Eddy Simulation methodology is used to investigate premixed combustion and the model predictions are evaluated by comparing with the piloted premixed stoichiometric methane-air flame data…
Photoluminescence measurements on high-quality InGaN quantum wells reveal that carriers diffuse laterally to long distances at room temperature, up to tens of microns. This behavior, which shows a pronounced dependence on the excitation…
Efficient frequency conversion of photons has important applications in optical quantum technology because the frequency range suitable for photon manipulation and communication usually varies widely. Recently, an efficient frequency…
One-body Green's function theories implemented on the real frequency axis offer a natural formalism for the unbiased theoretical determination of quasiparticle spectra in molecules and solids. Self-consistent Green's function methods…
We develop a self-consistent finite element method to study spontaneous emission at nanoscale proximity of plasmonic waveguides. In the model, it is assumed that only one guided mode is dominatingly excited by the quantum emitter. With such…
X-ray Thomson scattering (XRTS) has emerged as a widely used diagnostics for extreme states of matter in a great variety of situations, and over a broad range of parameters. The standard approach for the interpretation of XRTS measurements…
A key assumption in the reconstruction of extensive air showers using the air fluorescence technique is the hypothesis that fluorescence is proportional to energy deposition at all depths in the shower. This ansatz, along with the…
We evaluate the performances of ab initio GW calculations for the ionization energies and HOMO-LUMO gaps of thirteen gas phase molecules of interest for organic electronic and photovoltaic applications, including the C60 fullerene,…
This paper presents a probabilistic surrogate model for the accelerated design of electric vehicle battery enclosures with a focus on crash performance. The study integrates high-throughput finite element simulations and Gaussian Process…
A novel approach for calibrating quantum-chemical properties determined as part of a high-throughput virtual screen to experimental analogs is presented. Information on the molecular graph is extracted through the use of extended…
Predicting effective thermal conductivity by solving a Partial Differential Equation (PDE) defined on a high-resolution Representative Volume Element (RVE) is a computationally intensive task. In this paper, we tackle the task by proposing…
Density functionals with asymptotic corrections to the long-range potential provide entry-level methods for calculations on molecules that can sustain charge transfer, but similar applications in Materials Science are rare. We describe an…
We report on a novel method for tuning and enhancing fluorescence from irradiated polystyrene through electron-beam exposure in gaseous environments. We describe the effect of electron dose and ambient gas on the photoluminescence spectra…
In this paper we study the thermal effective behaviour for 3D multiphase composite material consisting of three isotropic phases which are the matrix, the inclusions and the coating media. For this purpose we use an accelerated FFT-based…
We develop an analytical technique to derive explicit forms of thermodynamical quantities within the asymptotic approach to non-extensive quantum distribution functions. Using it, we find an expression for the number of particles in a boson…
The strongly-coupled 3-dimensional theory, holographically dual to black branes at fixed chemical potential $\muext$ and temperature $T \ll \mu$ is considered in AdS$_4$ Einstein-Maxwell theory. The retarded Green's functions at frequency…
We have performed first-principles molecular-dynamics simulations based on density-functional theory to study the thermophysical properties of ethane under extreme conditions. We present new results for the equation of state of fluid ethane…
Thermally Activated Delayed Fluorescence (TADF) emitters must satisfy two competing requirements: small singlet-triplet energy gaps for thermal upconversion and sufficient spin-orbit coupling for fast reverse intersystem crossing.…