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CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations.
Kühne TD, Iannuzzi M, Del Ben M, Rybkin VV, Seewald P, Stein F, Laino T, Khaliullin RZ, Schütt O, Schiffmann F, Golze D, Wilhelm J, Chulkov S, Bani-Hashemian MH, Weber V, Borštnik U, Taillefumier M, Jakobovits AS, Lazzaro A, Pabst H, Müller T, Schade R, Guidon M, Andermatt S, Holmberg N, Schenter GK, Hehn A, Bussy A, Belleflamme F, Tabacchi G, Glöß A, Lass M, Bethune I, Mundy CJ, Plessl C, Watkins M, VandeVondele J, Krack M, Hutter J. Kühne TD, et al. Among authors: schutt o. J Chem Phys. 2020 May 21;152(19):194103. doi: 10.1063/5.0007045. J Chem Phys. 2020. PMID: 33687235
Materials Cloud, a platform for open computational science.
Talirz L, Kumbhar S, Passaro E, Yakutovich AV, Granata V, Gargiulo F, Borelli M, Uhrin M, Huber SP, Zoupanos S, Adorf CS, Andersen CW, Schütt O, Pignedoli CA, Passerone D, VandeVondele J, Schulthess TC, Smit B, Pizzi G, Marzari N. Talirz L, et al. Among authors: schutt o. Sci Data. 2020 Sep 8;7(1):299. doi: 10.1038/s41597-020-00637-5. Sci Data. 2020. PMID: 32901046 Free PMC article.
The atomic simulation environment-a Python library for working with atoms.
Hjorth Larsen A, Jørgen Mortensen J, Blomqvist J, Castelli IE, Christensen R, Dułak M, Friis J, Groves MN, Hammer B, Hargus C, Hermes ED, Jennings PC, Bjerre Jensen P, Kermode J, Kitchin JR, Leonhard Kolsbjerg E, Kubal J, Kaasbjerg K, Lysgaard S, Bergmann Maronsson J, Maxson T, Olsen T, Pastewka L, Peterson A, Rostgaard C, Schiøtz J, Schütt O, Strange M, Thygesen KS, Vegge T, Vilhelmsen L, Walter M, Zeng Z, Jacobsen KW. Hjorth Larsen A, et al. Among authors: schutt o. J Phys Condens Matter. 2017 Jul 12;29(27):273002. doi: 10.1088/1361-648X/aa680e. Epub 2017 Mar 21. J Phys Condens Matter. 2017. PMID: 28323250
Static and dynamical properties of solid chlorine.
Bauer R, Schütt O, Pavone P, Windl W, Strauch D. Bauer R, et al. Among authors: schutt o. Phys Rev B Condens Matter. 1995 Jan 1;51(1):210-213. doi: 10.1103/physrevb.51.210. Phys Rev B Condens Matter. 1995. PMID: 9977079 No abstract available.
13 results