⇦ First-principles modeling of melts and fluids at high pressures and high temperatures   First-principles modeling of minerals, melts and fluids up to high pressures and high temperatures ⇨

Recent Publications

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http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Sun, M.FZJ* ; Jahn, S. ; Peng, H. ; Zhang, X. ; Wang, T. (Corresponding author) ; Kowalski, P. M. (Corresponding author)FZJ*
Properties of irradiated sodium borosilicate glasses from experiment and atomistic simulations
Journal of the American Ceramic Society 104(9), 4479-4491 (2021) [10.1111/jace.17830]2021   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Schmidt, M. W. ; Weidendorfer, D.
Carbonatites in oceanic hotspots
Geology (2018) [10.1130/G39621.1]2018 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Sahle, C. J. ; Niskanen, J. ; Gilmore, K. ; Jahn, S.
Exchange-correlation functional dependence of the O 1 s excitation spectrum of water
Journal of electron spectroscopy and related phenomena 222, 57 - 62 (2018) [10.1016/j.elspec.2017.09.003]2018 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Sahle, C. J. ; Niskanen, J. ; Schmidt, C. ; Stefanski, J. ; Gilmore, K. ; Forov, Y. ; Jahn, S. ; Wilke, M. ; Sternemann, C.
Cation Hydration in Supercritical NaOH and HCl Aqueous Solutions
The journal of physical chemistry <Washington, DC> / B 121(50), 11383 - 11389 (2017) [10.1021/acs.jpcb.7b09688]2017 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Prescher, C. ; Prakapenka, V. B. ; Stefanski, J. ; Jahn, S. ; Skinner, L. B. ; Wang, Y.
Beyond sixfold coordinated Si in SiO$_{2}$ glass at ultrahigh pressures
Proceedings of the National Academy of Sciences of the United States of America 114(38), 10041 - 10046 (2017) [10.1073/pnas.1708882114]2017 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Wagner, J. ; Haigis, V. ; Künzel, D. ; Jahn, S.
Trace element partitioning between silicate melts – A molecular dynamics approach
Geochimica et cosmochimica acta 205, 245 - 255 (2017) [10.1016/j.gca.2017.02.017]2017 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Drewitt, J. W. E. ; Barnes, A. C. ; Jahn, S. ; Kohn, S. C. ; Walter, M. J. ; Novikov, A. N. ; Neuville, D. R. ; Fischer, H. E. ; Hennet, L.
Structure of liquid tricalcium aluminate
Physical review / B 95(6), 064203 (2017) [10.1103/PhysRevB.95.064203]2017 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Grüneberger, A. M. ; Schmidt, C. ; Jahn, S. ; Rhede, D. ; Loges, A. ; Wilke, M.
Interpretation of Raman spectra of the zircon–hafnon solid solution
European journal of mineralogy 28(4), 721 - 733 (2016) [10.1127/ejm/2016/0028-2551]2016 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Spiekermann, G. ; Wilke, M. ; Jahn, S.
Structural and dynamical properties of supercritical H$_2$O–SiO$_2$ fluids studied by ab initio molecular dynamics
Chemical geology 426, 85 - 94 (2016) [10.1016/j.chemgeo.2016.01.010]2016 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Künzel, D. ; Wagner, J. ; Jahn, S.
Ni partitioning between metal and silicate melts: An exploratory ab initio molecular dynamics simulation study
Chemical geology S0009254116305691 (2016) [10.1016/j.chemgeo.2016.10.028]2016 BibTeX | EndNote: XML, Text | RIS

All known publications ...
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