activity
20142026
most citedGPAW: An open Python package for electronic-structure calculations

275 citations · 2.5k across the 54 of their papers we have counts for

collaborators

55 papers

cond-mat.mtrl-sci2026

Competition between vacancy creation and filling in defect-engineering of hBN

Shrirang Chokappa, Manuel Längle, Barbara Maria Mayer +13

Hexagonal boron nitride (hBN) has recently become the focus of intense research as a material that can host quantum emitters. It is known that such emission is related to point def…

cond-mat.mtrl-sci2026

Simulating Continuous-Rotation 3D Electron Diffraction: A Multislice and Bloch Wave Framework

Małgorzata K. Cabaj, Jacob Madsen, Toma Susi +2

To improve the agreement between measured and calculated intensities of three-dimensional electron diffraction (3D ED) experiments, a simulation pipeline is needed to assess and qu…

quant-ph2026

Atom diffraction in the strong-coupling regime

Carina Kanitz, Jakob Bühler, François Aguillon +6

Analytic methods based on matter-wave diffraction are a cornerstone in condensed-matter research, providing access to static and dynamic materials properties down to the atomic lev…

cond-mat.mtrl-sci2026

Electron-beam induced methane decomposition for in-situ carbon doping of hexagonal boron nitride

Barbara Maria Mayer, Manuel Längle, Umair Javed +3

Controlling the spatial incorporation of carbon into hexagonal boron nitride (hBN) is essential for engineering optically active defects, yet existing approaches lack nanoscale pre…

cond-mat.mtrl-sci2025★ 2 cited

Self-ion implantation and structural relaxation in amorphous silicon

J. M. Gibson, Robe Elliman, T. Susi +1

Self-ion implantation amorphization is an established approach to study the structure and properties of amorphous silicon (a-Si). Fluctuation Electron Microscopy (FEM) has consiste…

cond-mat.mtrl-sci2025

Origin of circular and triangular pores in electron-irradiated hexagonal boron nitride

Umair Javed, Manuel Langle, Vladimir Zobac +9

For nearly two decades, it has been known that electron irradiation of hexagonal boron nitride (hBN) in a transmission electron microscope leads to the formation of triangular pore…