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4 Semantic Technology for Simulations and Molecular Particle-Based Methods
27. A.H. Larsen, J.J. Mortensen, J. Blomqvist, I.E. Castelli, R. Christensen, M. Dułak, J. Friis,
M.N. Groves, B. Hammer, C. Hargus, E.D. Hermes, P.C. Jennings, P.B. Jensen, J. Kermode,
J.R. Kitchin, E.L. Kolsbjerg, J. Kubal, K. Kaasbjerg, S. Lysgaard, J. Bergmann Maronsson, T.
Maxson, T. Olsen, L. Pastewka, A. Peterson, C. Rostgaard, J. Schiøtz, O. Schütt, M. Strange,
K.S. Thygesen, T. Vegge, L. Vilhelmsen, M. Walter, Z. Zeng, K.W. Jacobsen, The atomic
simulation environment: a Python library for working with atoms. J. Phys. Cond. Math. 29,
273002 (2017)
28. Object Management Group (OMG) (2020), https://www.omg.org/. Accessed 24 Mar 2020
29. Object Management Group (OMG), Unified Modeling Language (UML) 2.0: Formal specification, version 2.5.1 (2017), https://www.omg.org/spec/UML/2.5.1/PDF. Accessed 27 Mar
2020
30. A.F. de Baas (ed.), What Makes a Material Function? (EU Publications Office, Luxembourg,
Let me compute the ways, 2017)
31. M.T. Horsch, C. Niethammer, G. Boccardo, P. Carbone, S. Chiacchiera, M. Chiricotto, J.D.
Elliott, V. Lobaskin, P. Neumann, P. Schiffels, M.A. Seaton, I.T. Todorov, J. Vrabec, W.L.
Cavalcanti, Semantic interoperability and characterization of data provenance in computational
molecular engineering. J. Chem. Eng. Data 65(3), 1313–1329 (2020)
32. VIMMP Consortium, VIMMP ontologies: release dated 6th July 2020 (2020), https://www.
vimmp.eu/?p=349. Accessed 7 Sep 2020
33. M.T. Horsch, S. Chiacchiera, M.A. Seaton, I.T. Todorov, D. Toti, G. Goldbeck, Introduction to
the VIMMP ontologies. Technical report (2020). https://doi.org/10.5281/zenodo.3936796
34. D. Allemang, J. Hendler, Semantic Web for the Working Ontologist, 2nd edn. (Morgan Kaufmann, Waltham, Massachusetts, 2011)
35. D. Della Corte, W. Colsman, B. Welker, B. Rennick, Library eArchiving with ZONTAL space
and the allotrope data format. Digital Libr. Perspect. 36, 69–77 (2020). https://doi.org/10.1108/
DLP-09-2019-0036
36. M.T. Horsch, S. Chiacchiera, M.A. Seaton, I.T. Todorov, K. Šindelka, M. Lísal, B. Andreon,
E.B. Kaiser, G. Mogni, G. Goldbeck, R. Kunze, G. Summer, A. Fiseni, H. Brüning, P. Schiffels, W.L. Cavalcanti, Ontologies for the Virtual Materials Marketplace. Künstl. Intell. (2020).
https://doi.org/10.1007/s13218-020-00648-9
Open Access This chapter is licensed under the terms of the Creative Commons Attribution 4.0
International License (http://creativecommons.org/licenses/by/4.0/), which permits use, sharing,
adaptation, distribution and reproduction in any medium or format, as long as you give appropriate
credit to the original author(s) and the source, provide a link to the Creative Commons license and
indicate if changes were made.
The images or other third party material in this chapter are included in the chapter’s Creative
Commons license, unless indicated otherwise in a credit line to the material. If material is not
included in the chapter’s Creative Commons license and your intended use is not permitted by
statutory regulation or exceeds the permitted use, you will need to obtain permission directly from
the copyright holder.
4 Semantic Technology for Simulations and Molecular Particle-Based Methods
27. A.H. Larsen, J.J. Mortensen, J. Blomqvist, I.E. Castelli, R. Christensen, M. Dułak, J. Friis,
M.N. Groves, B. Hammer, C. Hargus, E.D. Hermes, P.C. Jennings, P.B. Jensen, J. Kermode,
J.R. Kitchin, E.L. Kolsbjerg, J. Kubal, K. Kaasbjerg, S. Lysgaard, J. Bergmann Maronsson, T.
Maxson, T. Olsen, L. Pastewka, A. Peterson, C. Rostgaard, J. Schiøtz, O. Schütt, M. Strange,
K.S. Thygesen, T. Vegge, L. Vilhelmsen, M. Walter, Z. Zeng, K.W. Jacobsen, The atomic
simulation environment: a Python library for working with atoms. J. Phys. Cond. Math. 29,
273002 (2017)
28. Object Management Group (OMG) (2020), https://www.omg.org/. Accessed 24 Mar 2020
29. Object Management Group (OMG), Unified Modeling Language (UML) 2.0: Formal specification, version 2.5.1 (2017), https://www.omg.org/spec/UML/2.5.1/PDF. Accessed 27 Mar
2020
30. A.F. de Baas (ed.), What Makes a Material Function? (EU Publications Office, Luxembourg,
Let me compute the ways, 2017)
31. M.T. Horsch, C. Niethammer, G. Boccardo, P. Carbone, S. Chiacchiera, M. Chiricotto, J.D.
Elliott, V. Lobaskin, P. Neumann, P. Schiffels, M.A. Seaton, I.T. Todorov, J. Vrabec, W.L.
Cavalcanti, Semantic interoperability and characterization of data provenance in computational
molecular engineering. J. Chem. Eng. Data 65(3), 1313–1329 (2020)
32. VIMMP Consortium, VIMMP ontologies: release dated 6th July 2020 (2020), https://www.
vimmp.eu/?p=349. Accessed 7 Sep 2020
33. M.T. Horsch, S. Chiacchiera, M.A. Seaton, I.T. Todorov, D. Toti, G. Goldbeck, Introduction to
the VIMMP ontologies. Technical report (2020). https://doi.org/10.5281/zenodo.3936796
34. D. Allemang, J. Hendler, Semantic Web for the Working Ontologist, 2nd edn. (Morgan Kaufmann, Waltham, Massachusetts, 2011)
35. D. Della Corte, W. Colsman, B. Welker, B. Rennick, Library eArchiving with ZONTAL space
and the allotrope data format. Digital Libr. Perspect. 36, 69–77 (2020). https://doi.org/10.1108/
DLP-09-2019-0036
36. M.T. Horsch, S. Chiacchiera, M.A. Seaton, I.T. Todorov, K. Šindelka, M. Lísal, B. Andreon,
E.B. Kaiser, G. Mogni, G. Goldbeck, R. Kunze, G. Summer, A. Fiseni, H. Brüning, P. Schiffels, W.L. Cavalcanti, Ontologies for the Virtual Materials Marketplace. Künstl. Intell. (2020).
https://doi.org/10.1007/s13218-020-00648-9
Open Access This chapter is licensed under the terms of the Creative Commons Attribution 4.0
International License (http://creativecommons.org/licenses/by/4.0/), which permits use, sharing,
adaptation, distribution and reproduction in any medium or format, as long as you give appropriate
credit to the original author(s) and the source, provide a link to the Creative Commons license and
indicate if changes were made.
The images or other third party material in this chapter are included in the chapter’s Creative
Commons license, unless indicated otherwise in a credit line to the material. If material is not
included in the chapter’s Creative Commons license and your intended use is not permitted by
statutory regulation or exceeds the permitted use, you will need to obtain permission directly from
the copyright holder.