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cond-mat.mtrl-sci2022
Towards a machine-readable literature: finding relevant papers based on an uploaded powder diffraction pattern
Berrak Özer, Martin A. Karlsen, Zachary Thatcher +8
We investigate a prototype application for machine-readable literature. The program is called "pyDataRecognition" and serves as an example of a data-driven literature search, where…
cond-mat.mtrl-sci2022
Refining perovskite structures to pair distribution function data using collective Glazer modes as a basis
Sandra Helen Skjærvø, Martin A. Karlsen, Riccardo Comin +1
Structural modelling of octahedral tilts in perovskites is typically done using the symmetry constraints of the resulting space group. In most cases, this introduces more degrees o…