DOI: 10.1039/d6dd00088f ISSN: 2635-098X
Tackling real-world crystal structure prediction from powder X-ray diffraction data
Frederik Lizak Johansen, Adam F. Sapnik, Erik Bjørnager Dam, Raghavendra Selvan, Kirsten M. Ø. JensenCrystal structure prediction (CSP) from powder diffraction data is a central challenge in materials chemistry.