Investigating polarization effects of CO2 adsorption in MgMOF-74. - Tim M. Becker; David Dubbeldam; Li-Chiang Lin; Thijs J. H. Vlugt (J. Comput. Sci., 2016)

OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order-n Algorithm in LAMMPS. - Seyed Hossein Jamali; Ludger Wolff; Tim M. Becker; Mariëtte de Groen; Mahinder Ramdin; Remco Hartkamp; André Bardow; Thijs J. H. Vlugt; Othonas A. Moultos (J. Chem. Inf. Model., 2019)