activity
20042023
most citedComposition, structure, and stability of the rutile TiO_2(110) surface: oxygen depletion, hydroxylation, hydrogen migration and water adsorption

255 citations · 1.3k across the 27 of their papers we have counts for

collaborators

27 papers

cs.CE2023

Computing formation enthalpies through an explainable machine learning method: the case of Lanthanide Orthophosphates solid solutions

Edoardo Di Napoli, Xinzhe Wu, Thomas Bornhake +1

In the last decade, the use of Machine and Deep Learning (MDL) methods in Condensed Matter physics has seen a steep increase in the number of problems tackled and methods employed.…

physics.chem-ph2020★ 39 cited

Trends in the valence band electronic structures of mixed uranium oxides

Kristina O Kvashnina, Piotr M Kowalski, Sergei M Butorin +5

Valence band electronic structure of mixed uranium oxides (UO2, U4O9, U3O7, U3O8, UO3) has been studied by the resonant inelastic X-ray scattering (RIXS) technique at the U M5 edge…

physics.comp-ph2020★ 1 cited

Modeling of Nuclear Waste Forms: State-of-the-Art and Perspectives

Piotr. M. Kowalski, Steve Lange, Guido Deissmann +6

Computational modeling is an important aspect of the research on nuclear waste materials. In particular, atomistic simulations, when used complementary to experimental efforts, con…

astro-ph.SR2017★ 27 cited

Pressure Distortion of the H-He Collision-Induced Absorption at the Photosphere of Cool White Dwarf Stars

Simon Blouin, Piotr M. Kowalski, Patrick Dufour

Collision-induced absorption (CIA) from molecular hydrogen is a dominant opacity source in the atmosphere of cool white dwarfs. It results in a significant flux depletion in the ne…

astro-ph.SR2016

Infrared Opacities in Dense Atmospheres of Cool White Dwarf Stars

Piotr M. Kowalski, Simon Blouin, Patrick Dufour

Dense, He-rich atmospheres of cool white dwarfs represent a challenge to the modeling. This is because these atmospheres are constituted of a dense fluid in which strong multi-atom…

astro-ph.SR2016

A New Generation of Cool White Dwarf Atmosphere Models Using Ab Initio Calculations

Simon Blouin, Patrick Dufour, Piotr M. Kowalski

Due to their high photospheric density, cool helium-rich white dwarfs (particularly DZ, DQpec and ultracool) are often poorly described by current atmosphere models. As part of our…