An efficient and extensible format, library, and API for binary trajectory data from molecular simulations. - Magnus Lundborg; Rossen Apostolov; Daniel Spångberg; Anders Gärdenäs; David van der Spoel; Erik Lindahl (J. Comput. Chem., 2014)

Treatment of delocalized electron transfer in periodic and embedded cluster DFT calculations: The case of Cu on ZnO (10 1¯0). - Matti Hellström; Daniel Spångberg; Kersti Hermansson (J. Comput. Chem., 2015)

Calculation of the stability of nonperiodic solids using classical force fields and the method of increments: N2o as an example. - Carsten Müller; Daniel Spångberg (J. Comput. Chem., 2015)