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173 papers · 1 filter
BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients
Georg K. H. Madsen, Jesús Carrete, Matthieu J. Verstraete
BoltzTraP2 is a software package for calculating a smoothed Fourier expression of periodic functions and the Onsager transport coefficients for extended systems using the linearize…
Improvements to Inference Compilation for Probabilistic Programming in Large-Scale Scientific Simulators
Mario Lezcano Casado, Atilim Gunes Baydin, David Martinez Rubio +8
We consider the problem of Bayesian inference in the family of probabilistic models implicitly defined by stochastic generative models of data. In scientific fields ranging from po…
A non-local mixing-length theory able to compute core overshooting
M. Gabriel, K. Belkacem
Turbulent convection is certainly one of the most important and thorny issues in stellar physics. Our deficient knowledge of this crucial physical process introduces a fairly large…
Strain-induced effects in the electronic and spin properties of a monolayer of ferromagnetic GdAg2
Alexander Correa, Bin Xu, Matthieu J. Verstraete +1
We report on the structural, electronic and magnetic properties of a monolayer of GdAg2, forming a moiré pattern on Ag(111). Combining scanning tunneling microscopy and ab-initio s…
A changing wind collision
Yael Naze, Gloria Koenigsberger, Julian M. Pittard +4
We report on the first detection of a global change in the X-ray emitting properties of a wind-wind collision, thanks to XMM-Newton observations of the massive SMC system HD5980. W…
Finite-Size Effects in the Absorption Spectra of a Single-Wall Carbon Nanotube
Jaime Silva, Micael J T Oliveira, Senentxu Lanceros-Mendez +1
The determination of the optical spectrum of single-wall carbon nanotubes (SWCNTs) is essential for the development of opto-electronic components and sensors with application in ma…