相关论文: Review of the 10th Non-LTE Code Comparison Worksho…
The presence of defects strongly influences semiconductor behavior. However, predicting the electronic properties of defective materials at finite temperatures remains computationally expensive even with density functional theory due to the…
We have performed a thorough computational study to assess the accuracy of density functional theory (DFT) methods in describing the interactions of CO2 with model alkali-earth-metal (AEM, Ca and Li) decorated carbon structures, namely…
Cosmological models where dark matter interacts with dark energy via a pure momentum transfer and with no energy exchange (i.e. elastic) provide compelling scenarios for addressing the apparent lack of structures at low redshift. In…
Analysis of large galaxy surveys requires confidence in the robustness of numerical simulation methods. The simulations are used to construct mock galaxy catalogs to validate data analysis pipelines and identify potential systematics. We…
I give a survey of recent progress in our understanding of QCD at high density and temperature. I pay particular attention to color superconductivity, applications of lattice gauge theory at nonzero density as well as high temperature,…
Many important tasks in chemistry revolve around molecules during reactions. This requires predictions far from the equilibrium, while most recent work in machine learning for molecules has been focused on equilibrium or near-equilibrium…
This document collects a written summary of all contributions presented at the workshop "$\alpha_s$(2019): Precision measurements of the strong coupling" held at ECT* (Trento) in Feb. 11--15, 2019. The workshop explored in depth the latest…
With the goal of producing a reliable set of model atoms and singly-ionized ions for use in building NLTE model atmospheres, we have combined measured energy levels, critically-compiled line transition probabilities, and resonance-averaged…
We employ a descriptor based machine-learning approach to assess the effect of chemical alloying on formation-enthalpy of rare-earth intermetallics. Application of machine-learning approaches in rare-earth intermetallic design have been…
Unified recombination cross sections and rates are computed for (e + Fe XVIII) --> Fe XVII including non-resonant and resonant (radiative and di-electronic recombination, RR and DR) processes in an ab initio manner with relativistic fine…
This paper presents the electron and photon energy calibration obtained with the ATLAS detector using about 36 fb$^{-1}$ of LHC proton-proton collision data recorded at $\sqrt{s}=13$ TeV in 2015 and 2016. The different calibration steps…
The potential for laser-produced plasmas to yield fundamental insights into high energy density physics (HEDP) and deliver other useful applications can sometimes be frustrated by uncertainties in modeling the properties and expansion of…
Conditional density estimation (CDE) - recovering the full conditional distribution of a response given tabular covariates - is essential in settings with heteroscedasticity, multimodality, or asymmetric uncertainty. Recent tabular…
OH airglow is an important nocturnal emission of the Earth's mesopause region. As it is chemiluminescent radiation in a thin medium, the population distribution over the various roto-vibrational OH energy levels of the electronic ground…
Galaxy formation and evolution critically depend on understanding the complex photo-chemical processes that govern the evolution and thermodynamics of the InterStellar Medium (ISM). Computationally, solving chemistry is among the most heavy…
The non-LTE state of the hydrogen gas in isothermal transonic decretion disks around a B1V star has been calculated by an iterative method in order to explore the basic physical process in the disk. This dynamical model is characterized by…
Based on detailed 2D radiation hydrodynamics (RHD) simulations, we have investigated the effects of photospheric temperature inhomogeneities induced by convection on spectroscopic determinations of the lithium abundance. Computations have…
The treatment of the inelastic collisions with electrons and hydrogen atoms are the main source of uncertainties in non-Local Thermodynamic Equilibrium (LTE) spectral line computations. We report, in this research note, quantum mechanical…
Unstable 10C nuclei are produced as quasi-projectiles in 12C+24Mg collisions at E/A = 53 and 95 MeV. The decay of their short-lived states is studied with the INDRA multidetector array via multi-particle correlation functions. The obtained…
A new Monte-Carlo radiative-transfer code, Sunrise, is used in conjunction with hydrodynamic simulations of major galaxy mergers to calculate the effects of dust in such systems. The simulations are in good agreement with observations of…