96 citations · 96 across the 5 of their papers we have counts for
5 papers
Combining matrix product states and mean-field theory to capture magnetic order in quasi-1D cuprates
Quentin Staelens, Daan Verraes, Daan Vrancken +3
We study quasi-one-dimensional strongly correlated materials using a multi-step approach based on density functional theory, downfolding techniques, and tensor-network simulations.…
The effect of the A-site cation on the phase transition temperature of metal halide perovskites
Tom Braeckevelt, Sander Vandenhaute, Sven M. J. Rogge +2
A key challenge for the practical application of metal halide perovskites (MHPs) is the instability of the desired perovskite phase relative to the optically non-active phase.…
Quantitative Description of Strongly Correlated Materials by Combining Downfolding Techniques and Tensor Networks
Daan Vrancken, Simon Ganne, Daan Verraes +5
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we empl…
High rate nanofluidic energy absorption in porous zeolitic frameworks
Yueting Sun, Sven M. J. Rogge, Aran Lamaire +5
Optimal mechanical impact absorbers are reusable and exhibit high specific energy absorption. The forced intrusion of liquid water in hydrophobic nanoporous materials, such as zeol…
Texture Formation in Polycrystalline Thin Films of All-Inorganic Lead Halide Perovskite
Julian A. Steele, Eduardo Solano, Handong Jin +11
Controlling grain orientations within polycrystalline all-inorganic halide perovskite solar cells can help increase conversion efficiencies toward their thermodynamic limits, howev…