相关论文: Ab initio Calculations for Astrochemistry
With the increasing interplay between experimental and computational approaches at multiple length scales, new research directions are emerging in materials science and computational mechanics. Such cooperative interactions find many…
A large scientific community depends on the precise modelling of complex processes in particle cascades in various types of matter. These models are used most prevalently in cosmic-ray physics, astrophysical-neutrino physics, and gamma-ray…
This Perspective focuses on the several overlaps between quantum algorithms and Monte Carlo methods in the domains of physics and chemistry. We will analyze the challenges and possibilities of integrating established quantum Monte Carlo…
Nuclear astrophysics aims at unraveling the cosmic origins of chemical elements and the physical processes powering stars. It constitutes a truly multidisciplinary field, that integrates tools, advancements, and accomplishments from…
The increase of existing computational capabilities has made simulation emerge as a third discipline of Science, lying midway between experimental and purely theoretical branches [1, 2]. Simulation enables the evaluation of quantities which…
An emerging theme in modern astrophysics is the connection between astronomical observations and the underlying physical phenomena that drive our cosmos. Both the mechanisms responsible for the observed astrophysical phenomena and the tools…
We propose a new model for treating solid-phase photoprocesses in interstellar ice analogues. In this approach, photoionization and photoexcitation are included in more detail, and the production of electronically-excited (suprathermal)…
Computational gas dynamics has become a prominent research field both in astrophysics and cosmology. In the first part of this review we intend to briefly describe several of the numerical methods used in this field, discuss their range of…
We present a new energy transport code that models the time dependent and non-linear evolution of spectra of cosmic-ray nuclei, their secondaries, and photon target fields. The software can inject an arbitrary chemical composition including…
Quantitative spectroscopy is a powerful technique from which we can extract information about the physical properties and surface chemical composition of stars. In this chapter, I guide the reader through the main ideas required to get…
Atomistic simulations using accurate energy functions can provide molecular-level insight into functional motions of molecules in the gas- and in the condensed phase. Together with recently developed and currently pursued efforts in…
This review highlights current (and future) hot topics in astrophysics where atomic or molecular input data are (or will be) essential, with special emphasis on topics relating to nucleosynthesis and cosmochemistry. We first discuss issues…
The field of astrochemistry has seen major advances triggered by the completion of new powerful radio telescopes, with gains in sensitivity of receivers and in bandwidth. To date, about 330 molecular species are detected, in interstellar…
Modern computational chemistry has reached a stage at which massive exploration into chemical reaction space with unprecedented resolution with respect to the number of potentially relevant molecular structures has become possible. Various…
The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource…
In this paper we present two efficient implementations of the diffusion approximation to be employed in Monte Carlo computations of radiative transfer in dusty media of massive circumstellar disks. The aim is to improve the accuracy of the…
Quantum Computing promises accelerated simulation of certain classes of problems, in particular in plasma physics. Given the nascent interest in applying quantum computing techniques to study plasma systems, a compendium of the relevant…
The theory of radiative transfer provides the link between the physical conditions in an astrophysical object and the observable radiation which it emits. Thus accurately modelling radiative transfer is often a necessary part of testing…
The molecular energies of chemical systems have been successfully calculated on quantum computers, however, more attention has been paid to the dynamic process of chemical reactions in practical application, especially in catalyst design,…
Unimolecular gas phase chemical reactions could be activated by both infrared (IR) radiation and inter-molecular collision in the interstellar environment. Understanding the interplay and competition between the radiation and collision…