Hadeel Moustafa

Computational exfoliation of atomically thin one-dimensional materials with application to Majorana bound states

K. Jacobsen, K. Thygesen, J. Mortensen, 2022, Physical Review Materials.

Determining short-lived solid forms during phase transformations using molecular dynamics

J. Rantanen, A. Madsen, S. Sauer, 2019, CrystEngComm.

Template‐Guided Ionic Self‐Assembled Molecular Materials and Thin Films with Nanoscopic Order

P. K. Jensen, H. Sørensen, S. Nielsen, 2015 .

Prediction of pKa values using the PM6 semiempirical method

Jan H. Jensen, Jan H Jensen, Jimmy C. Kromann, 2016, PeerJ.

Hundreds of new, stable, one-dimensional materials from a generative machine learning model

K. Jacobsen, K. Thygesen, J. Mortensen, 2022, Physical Review Materials.

High-throughput computational screening for two-dimensional magnetic materials based on experimental databases of three-dimensional compounds

K. Jacobsen, T. Olsen, D. Torelli, 2020, npj Computational Materials.

Selenium and the role of defects for photovoltaic applications

K. Jacobsen, K. Thygesen, Jiban Kangsabanik, 2023, 2306.05092.