Mandy Bethkenhagen

Nov 8, 2023 | blogs.egu.eu | Mandy Bethkenhagen |Thibault Duretz |Mohamed Gouiza |Stefano Maffei

Are you fed up with paying journals to publish your paper? Are you tired of running into yet another paywall when you just want to read a paper? Do you want to see the current inequitable academic ivory tower burn and change the system? Then join us in creating Geodynamica: Earth & Planets: a new community-powered Diamond Open Access Journal (DOAJ)!Join the conversation on discord by following this link.

Jun 14, 2023 | link.aps.org | Maximilian Schörner |Mandy Bethkenhagen |Tilo Döppner |Dominik Kraus

Abstract We study ab initio approaches for calculating x-ray Thomson scattering spectra from density functional theory molecular dynamics simulations based on a modified Chihara formula that expresses the inelastic contribution in terms of the dielectric function.

Apr 13, 2023 | link.aps.org | Martin French |Universität Rostock |Institut für Physik |Mandy Bethkenhagen

Abstract We calculate reflectivities of dynamically compressed water, water-ethanol mixtures, and ammonia at infrared and optical wavelengths with density functional theory and molecular dynamics simulations. The influence of the exchange-correlation functional on the results is examined in detail. Our findings indicate that the consistent use of the HSE hybrid functional reproduces experimental results much better than the commonly used PBE functional.

Feb 26, 2023 | nature.com | Bingqing Cheng |Sebastien Hamel |Mandy Bethkenhagen

AbstractHydrocarbon mixtures are extremely abundant in the Universe, and diamond formation from them can play a crucial role in shaping the interior structure and evolution of planets. With first-principles accuracy, we first estimate the melting line of diamond, and then reveal the nature of chemical bonding in hydrocarbons at extreme conditions.