Related papers: FastChem 4: New chemical elements and improved con…
Astrochemical modeling is needed for understanding the formation and evolution of interstellar molecules, and for extracting physical information from spectroscopic observations of interstellar clouds. The modeling usually involves handling…
We describe a fourth-order accurate finite-difference time-domain scheme for solving dispersive Maxwell's equations with nonlinear multi-level carrier kinetics models. The scheme is based on an efficient single-step three time-level…
Genome sequence analysis plays a pivotal role in enabling many medical and scientific advancements in personalized medicine, outbreak tracing, and forensics. However, the analysis of genome sequencing data is currently bottlenecked by the…
Databases of gas and surface chemical reactions are a key tool for scientists working in a wide range of physical sciences. In Astrochemistry, databases of chemical reactions are used as inputs to chemical models to determine the abundances…
To date, over 500 short-period rocky planets with equilibrium temperatures above 1500 K have been discovered. Such planets are expected to support magma oceans, providing a direct interface between the interior and the atmosphere. This…
The deep learning (DL) has been penetrating daily life in many domains, how to keep the DL model inference secure and sample privacy in an encrypted environment has become an urgent and increasingly important issue for various…
The slow inference process of image diffusion models significantly degrades interactive user experiences. To address this, we introduce Diffusion Preview, a novel paradigm employing rapid, low-step sampling to generate preliminary outputs…
Scanning transmission electron microscopy (STEM) has a broad range of applications in materials characterization, including real-space imaging, spectroscopy, and diffraction, at length scales from the micron to sub-{\AA}ngstr\"om. The…
The majority of massive stars are located in binary or multiple star systems. Compared to single stars, these objects pose additional challenges to quantitative analyses based on model atmospheres. In particular, little information is…
We present TTCF4LAMMPS, a toolkit for performing non-equilibrium molecular dynamics (NEMD) simulations to study fluid behaviour at low shear rates using the LAMMPS software. By combining direct NEMD simulations and the transient-time…
Recent observations have resulted in the detection of chemical gradients on ultra-hot gas giants. Notwithstanding their high temperature, chemical reactions in ultra-hot atmospheres may occur in disequilibrium, due to vigorous day-night…
As the (JWST) pursues its observing journey, several thousands of icy-grain spectra are expected to be measured and analysed. The inventory of ices in particular, via the observations of background sources, is accessible for hundreds of…
A major theme in constraint-based modeling is unifying experimental data, such as biochemical information about the reactions that can occur in a system or the composition and localization of enzyme complexes, with highthroughput data…
Determining the atomic and molecular content of the interstellar medium (ISM) as a function of environmental parameters is of fundamental importance to understand the star-formation process across the epochs. Although there exist various…
Many species of complex organic molecules (COMs) have been observed in several astrophysical environments but it is not clear how they are produced, particularly in cold, quiescent regions. One process that has been proposed as a means to…
Transformer-based models have made tremendous impacts in natural language generation. However the inference speed is a bottleneck due to large model size and intensive computing involved in auto-regressive decoding process. We develop…
Several chemical networks have been developed to study warm (exo)planetary atmospheres. The kinetics of the reactions related to the methanol chemistry included in these schemes have been questioned. The goal of this paper is to update the…
We present the latest results from the use of the Backus-Gilbert method for reconstructing the spectra of NRQCD bottomonium mesons using anisotropic FASTSUM ensembles at non-zero temperature. We focus in particular on results from the…
Equilibrium Constant Differential Equations (ECDE) are derived for several nanoconfined elemental bimolecular reactions in the frameworks of statistical mechanics and the ideal gas model. The ECDEs complement the well-known…
Opacities and chemical abundance data are crucial ingredients of ultracool dwarf and extrasolar giant planet atmosphere models. We report here on the detailed sources of molecular opacity data employed by our group for this application. We…