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With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…

生物大分子 · 定量生物学 2020-10-14 Vitali Nesterov , Mario Wieser , Volker Roth

Methanol is the most complex molecule securely identified in interstellar ices and is a key chemical species for understanding chemical complexity in astrophysical environments. Important aspects of the methanol ice photochemistry are still…

星系天体物理 · 物理学 2023-05-10 W. R. M. Rocha , P. Woitke , S. Pilling , W. -F. Thi , J. K. Jørgensen , L. E. Kristensen , G. Perotti , I. Kamp

General characteristics of methanol (CH3OH) maser emission are summarized. It is shown that methanol maser sources are concentrated in the spiral arms. Most of the methanol maser sources from the Perseus arm are associated with embedded…

Shear viscosity, though being a fundamental property of all liquids, is computationally expensive to estimate from equilibrium molecular dynamics simulations. Recently, Machine Learning (ML) methods have been used to augment molecular…

This work presents an efficient approach for accelerating multilevel Markov Chain Monte Carlo (MCMC) sampling for large-scale problems using low-fidelity machine learning models. While conventional techniques for large-scale Bayesian…

机器学习 · 统计学 2024-05-21 Sohail Reddy , Hillary Fairbanks

Absorption imaging with quasi-resonant laser light is a commonly used technique to probe ultra-cold atomic gases in various geometries. Here we investigate some non-trivial aspects of this method when it is applied to in situ diagnosis of a…

量子气体 · 物理学 2015-06-03 L. Chomaz , L. Corman , T. Yefsah , R. Desbuquois , J. Dalibard

Approximate Bayesian Computation is widely used to infer the parameters of discrete-state continuous-time Markov networks. In this work, we focus on models that are governed by the Chemical Master Equation (the CME). Whilst originally…

定量方法 · 定量生物学 2020-01-10 Christopher Lester

Laser-induced electron diffraction is an evolving tabletop method, which aims to image ultrafast structural changes in gas-phase polyatomic molecules with sub-{\AA}ngstr\"om spatial and femtosecond temporal resolution. Here, we provide the…

Shock tube experiments, paired with precision laser diagnostics, are ideal venues to provide kinetics data critically needed for the development, validation and optimization of modern combustion kinetics models. However, to design…

化学物理 · 物理学 2019-11-07 Shengkai Wang , Yiming Ding , Ronald K. Hanson

Methanol masers at 6.7 GHz are associated with high-mass star-forming regions (HMSFRs) and often have mid-infrared (MIR) counterparts characterized by extended emission at 4.5 $\mu$m, which likely traces outflows from massive young stellar…

星系天体物理 · 物理学 2014-05-08 Anna Bartkiewicz , Marian Szymczak , Huib van Langevelde

In this report, we propose a collection of methods to make such an approach possible for Euler equations in one and two dimensions. We propose an explicit single-step ALE DG scheme for hyperbolic conservation laws. The scheme considerably…

数值分析 · 数学 2023-03-09 Jayesh Badwaik

We report on the detection of 44 GHz Class I methanol (CH3OH) maser emission in the SgrA complex with the Expanded Very Large Array (EVLA). These EVLA observations show that the SgrA complex harbors at least four different tracers of…

星系天体物理 · 物理学 2015-05-28 Y. M. Pihlström , L. O. Sjouwerman , V. L. Fish

We present an exhaustive study of more than 250 ab initio potential energy surfaces (PESs) of the model dipeptide HCO-L-Ala-NH2. The model chemistries (MCs) used are constructed as homo- and heterolevels involving possibly different RHF and…

定量方法 · 定量生物学 2013-06-21 Pablo Echenique , J. L. Alonso

We present a comparison of ClassII CH3OH and H2O masers at high spatial resolution in a sample of 29 massive star-forming regions. Absolute positions of both maser types are compared with mm dust continuum, cm continuum and mid-infrared…

天体物理学 · 物理学 2009-11-07 H. Beuther , A. Walsh , P. Schilke , T. K. Sridharan , K. M. Menten , F. Wyrowski

The modern form of the Moments Method applied to the calculation of the nuclear shell-model level density is explained and examples of the method at work are given. The calculated level density practically exactly coincides with the result…

核理论 · 物理学 2016-01-27 V. Zelevinsky , M. Horoi , R. A. Sen'kov

The determination of the Higgs boson trilinear self-coupling ${\lambda}_{3H}$ is a key goal of the LHC physics programme. Its precise measurement will provide unique insight into the scalar potential and the mechanism of electroweak…

高能物理 - 唯象学 · 物理学 2026-02-03 Matthias Tartarin , Jan Stark

Spectra in the CH $^2\Pi_{1/2}$, J=1/2, F=1-1 transition at 3335 MHz were obtained in three 5-point crosses centered on the Galactic plane at $\ell =$ 50$\arcdeg$, 100$\arcdeg$, and 110$\arcdeg$. The lines of sight traverse both Giant…

天体物理学 · 物理学 2008-11-26 L. Magnani , S. Lugo , T. M. Dame

The circumstellar masers around evolved stars offer an interesting possibility to measure stellar parameters through VLBI astrometry. In this paper the application of this technique is discussed, including the accuracy and the uncertainties…

天体物理学 · 物理学 2016-01-27 H. J. van Langevelde , W. H. T. Vlemmings

VLBA and EVN radio observations of H2O masers at 22 GHz and methanol masers at 6.7 GHz have been used to obtain images of the maser spots in the infrared object GL2789, which is associated with the young stellar object V645Cyg. The position…

天体物理学 · 物理学 2009-11-07 V. I. Slysh , M. A. Voronkov , I. E. Val'tts , V. Migenes

We study two- and three-meson systems composed either of pions or kaons at maximal isospin using Monte Carlo simulations of lattice QCD. Utilizing the stochastic LapH method, we are able to determine hundreds of two- and three-particle…