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High-pressure polymorphs of ferroan dolomite: Possible host structures for carbon in the lower mantle

American Mineralogist
2024 | Journal article
Contributors: Martirosyan, Naira S.; Efthimiopoulos, Ilias; Jahn, Sandro; Lobanov, Sergey S.; Wirth, Richard; Reichmann, Hans-Josef; Koch-Mueller, Monika
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Liquid Structure of Magnesium Aluminates

Materials
2024-12-17 | Journal article
Contributors: Viviana Cristiglio; Irina Pozdnyakova; Aleksei Bytchkov; Gabriel J. Cuello; Sandro Jahn; Didier Zanghi; Séverine Brassamin; James W. E. Drewitt; Louis Hennet
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Pressure-induced polyamorphic transition in CaAl2O4 glass

Physical Review B
2024-08-28 | Journal article
Contributors: Itaru Ohira; Yoshio Kono; Steeve Gréaux; James W. E. Drewitt; Sandro Jahn; Fumiya Noritake; Koji Ohara; Satoshi Hiroi; Nozomi M. Kondo; Rostislav Hrubiak et al.
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Speciation and dynamical properties of hydrous MgCO3 melt studied by ab-initio molecular dynamics

Geochimica et Cosmochimica Acta
2024-03 | Journal article
Contributors: Maximilian Schulze; Sandro Jahn
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Exploring boron isotope fractionation during interaction of silicate melts and hydrous fluids: an experimental approach concerning ore formation

2024-03-11 | Preprint
Contributors: Jakob Rauscher; Bernd Wunder; Max Wilke; Robert Trumbull; Sandro Jahn; Melanie J. Sieber; Julie Michaud; Florian Pohl; Maria Rosa Scicchitano; Michael Fechtelkord et al.
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Complexation of Zr and Hf in fluoride-rich hydrothermal aqueous fluids and its significance for high field strength element fractionation

Geochimica et Cosmochimica Acta
2024-02 | Journal article
Contributors: Anselm Loges; Marco Manni; Marion Louvel; Max Wilke; Sandro Jahn; Edmund Welter; Manuela Borchert; Shilei Qiao; Stephan Klemme; Bettina G. Keller et al.
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Calcium sulfates in planetary surface environments

Global and Planetary Change
2023 | Journal article
Contributors: Wehmann, Niklas; Lenting, Christoph; Jahn, Sandro
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Crystal structure and high-pressure phase behavior of a CaCO<sub>3</sub>-SrCO<sub>3</sub> solid solution

Physics and Chemistry of Minerals
2023 | Journal article
Contributors: Pennacchioni, Lea; Martirosyan, Naira S.; Pakhomova, Anna; Koenig, Jannes; Wirth, Richard; Jahn, Sandro; Koch-Mueller, Monika; Speziale, Sergio
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Iron coordination in liquid FeAl 2 O 4

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
2023-10-16 | Journal article
Contributors: James W. E. Drewitt; Adrian C. Barnes; Sandro Jahn; Richard A. Brooker; Louis Hennet; Daniel R. Neuville; Henry E. Fischer
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Hydration in aqueous NaCl

Physical Chemistry Chemical Physics
2022 | Journal article
Contributors: Christoph J. Sahle; Emmanuelle de Clermont Gallerande; Johannes Niskanen; Alessandro Longo; Mirko Elbers; Martin A. Schroer; Christian Sternemann; Sandro Jahn
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Molecular Simulations of Oxide and Silicate Melts and Glasses

Reviews in Mineralogy and Geochemistry
2022 | Journal article
Contributors: Jahn, Sandro
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Effect of cationic substitution on the pressure-induced phase transitions in calcium carbonate

American Mineralogist
2021 | Journal article
Contributors: Martirosyan, Naira S.; Efthimiopoulos, Ilias; Pennacchioni, Lea; Wirth, Richard; Jahn, Sandro; Koch-Mueller, Monika
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Ion association in hydrothermal aqueous NaCl solutions: implications for the microscopic structure of supercritical water

Physical Chemistry Chemical Physics
2021 | Journal article
Contributors: Mirko Elbers; Christian Schmidt; Christian Sternemann; Christoph J. Sahle; Sandro Jahn; Christian Albers; Robin Sakrowski; Hlynur Gretarsson; Martin Sundermann; Metin Tolan et al.
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Properties of irradiated sodium borosilicate glasses from experiment and atomistic simulations

Journal of the American Ceramic Society
2021-09 | Journal article
Contributors: Mengli Sun; Sandro Jahn; Haibo Peng; Xiaoyang Zhang; Tieshan Wang; Piotr M. Kowalski
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Structure of levitated Si–Ge melts studied by high-energy x-ray diffraction in combination with reverse Monte Carlo simulations

Journal of Physics: Condensed Matter
2021-06-16 | Journal article
Contributors: Irina Pozdnyakova; Oleksandr Roik; James W E Drewitt; Aleksei Bytchkov; Florian Kargl; Sandro Jahn; Séverine Brassamin; Louis Hennet
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From Molten Calcium Aluminates through Phase Transitions to Cement Phases

Advanced Science
2020 | Journal article
Contributors: Liu, Hao; Chen, Wenlin; Pan, Ruikun; Shan, Zhitao; Qiao, Ang; Drewitt, James W. E.; Hennet, Louis; Jahn, Sandro; Langstaff, David P.; Chass, Gregory A. et al.
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Yttrium speciation in subduction-zone fluids from ab initio molecular dynamics simulations

Solid Earth
2020-05-05 | Journal article
Contributors: Johannes Stefanski; Sandro Jahn
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Response to comments of referee #1

2020-03-20 | Other
Contributors: Sandro Jahn
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Response to comments of referee #2

2020-03-20 | Other
Contributors: Sandro Jahn
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Supplementary material to "Yttrium speciation in subduction zone fluids from ab initio molecular dynamics simulations"

2020-01-10 | Preprint
Contributors: Johannes Stefanski; Sandro Jahn
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Yttrium speciation in subduction zone fluids from ab initio molecular dynamics simulations

2020-01-10 | Preprint
Contributors: Johannes Stefanski; Sandro Jahn
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Anomalous elastic behavior of phase egg, AlSiO<sub>3</sub>(OH), at high pressures

American Mineralogist
2019 | Journal article
Contributors: Mookherjee, Mainak; Panero, Wendy R.; Wunder, Bernd; Jahn, Sandro
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Configurational constraints on glass formation in the liquid calcium aluminate system

Journal of Statistical Mechanics: Theory and Experiment
2019 | Journal article
Contributors: Drewitt, James W. E.; Jahn, Sandro; Hennet, Louis
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Effects of hydrostaticity on the structural stability of carbonates at lower mantle pressures: the case study of dolomite

High Pressure Research
2019 | Journal article
Contributors: Efthimiopoulos, Ilias; Germer, Marisa; Jahn, Sandro; Harms, Martin; Reichmann, Hans Josef; Speziale, Sergio; Schade, Ulrich; Sieber, Melanie; Koch-Mueller, Monika
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Aqueous sodium hydroxide (NaOH) solutions at high pressure and temperature: insights from in situ Raman spectroscopy and ab initio molecular dynamics simulations

Physical Chemistry Chemical Physics
2018 | Journal article
Contributors: Johannes Stefanski; Christian Schmidt; Sandro Jahn
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Exchange-correlation functional dependence of the O 1s excitation spectrum of water

Journal of Electron Spectroscopy and Related Phenomena
2018 | Journal article
WOSUID:

WOS:000423638100009

Contributors: Sahle, C. J.; Niskanen, J.; Gilmore, K.; Jahn, S.
Source: Self-asserted source
Sandro Jahn via ResearcherID
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Ti K-edge XANES study on the coordination number and oxidation state of Titanium in pyroxene, olivine, armalcolite, ilmenite, and silicate glass during mare basalt petrogenesis

Contributions to Mineralogy and Petrology
2018 | Journal article
Contributors: Leitzke, F. P.; Fonseca, R. O. C.; Goettlicher, J.; Steininger, R.; Jahn, S.; Prescher, C.; Lagos, M.
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Copper complexation and solubility in high-temperature hydrothermal fluids: A combined study by Raman, X-ray fluorescence, and X-ray absorption spectroscopies and ab initio molecular dynamics simulations

Chemical Geology
2018-09 | Journal article
Contributors: Christian Schmidt; Anke Watenphul; Sandro Jahn; Ilona Schäpan; Lea Scholten; Matthew G. Newville; Antonio Lanzirotti
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Atomic-scale modelling of crystal defects, self-diffusion and deformation processes

Mineral Reaction Kinetics: Microstructures, Textures, Chemical and Isotopic Signatures
2017 | Journal article
Contributors: Sandro Jahn
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Beyond sixfold coordinated Si in SiO2 glass at ultrahigh pressures

Proceedings of the National Academy of Sciences of the United States of America
2017 | Journal article
WOSUID:

WOS:000411157100045

Contributors: Prescher, C.; Prakapenka, V. B.; Stefanski, J.; Jahn, S.; Skinner, L. B.; Wang, Y. B.
Source: Self-asserted source
Sandro Jahn via ResearcherID
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Combined high-pressure and high-temperature vibrational studies of dolomite: phase diagram and evidence of a new distorted modification

Physics and Chemistry of Minerals
2017 | Journal article
WOSUID:

WOS:000405504800002

Contributors: Efthimiopoulos, I.; Jahn, S.; Kuras, A.; Schade, U.; Koch-Muller, M.
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Sandro Jahn via ResearcherID
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Dynamics, Structure and Glass Formation of Calcium Aluminate Liquids

ArXiv
2017 | Journal article
Contributors: Liu, Hao; Pan, Ruikun; Chen, Wenlin; Shan, Zhitao; Qiao, Ang; Jahn, Sandro; W. E. Drewitt, James; Hennet, Louis; P. Langstaff, David; Tao, Haizheng et al.
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Effect of temperature on the pressure-induced spin transition in siderite and iron-bearing magnesite: a Raman spectroscopy study

European Journal of Mineralogy
2017 | Journal article
Contributors: Mueller, Jan; Efthimiopoulos, Ilias; Jahn, Sandro; Koch-Mueller, Monika
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Structure of liquid tricalcium aluminate

Physical Review B
2017 | Journal article
WOSUID:

WOS:000394150300005

Contributors: 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.
Source: Self-asserted source
Sandro Jahn via ResearcherID
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Trace element partitioning between silicate melts - A molecular dynamics approach

Geochimica Et Cosmochimica Acta
2017 | Journal article
WOSUID:

WOS:000402487700014

Contributors: Wagner, J.; Haigis, V.; Kunzel, D.; Jahn, S.
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Sandro Jahn via ResearcherID
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Cation Hydration in Supercritical NaOH and HCl Aqueous Solutions

The Journal of Physical Chemistry B
2017-12-21 | Journal article
Contributors: Christoph J. Sahle; Johannes Niskanen; Christian Schmidt; Johannes Stefanski; Keith Gilmore; Yury Forov; Sandro Jahn; Max Wilke; Christian Sternemann
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Ni partitioning between metal and silicate melts: An exploratory ab initio molecular dynamics simulation study

Chemical Geology
2017-06 | Journal article
Contributors: Daniela Künzel; Johannes Wagner; Sandro Jahn
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The structure of Y- and La-bearing aluminosilicate glasses and melts: A combined molecular dynamics and diffraction study

Chemical Geology
2017-06 | Journal article
Contributors: Johannes Wagner; Volker Haigis; Marlène Leydier; Aleksei Bytchkov; Viviana Cristiglio; Henry E. Fischer; Najim Sadiki; Didier Zanghi; Louis Hennet; Sandro Jahn
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Anisotropy of self-diffusion in forsterite grain boundaries derived from molecular dynamics simulations

Contributions to Mineralogy and Petrology
2016 | Journal article
Contributors: Sandro Jahn; Katharina Marquardt; Johannes Wagner; Omar Adjaoud
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Continuous description of a grain boundary in forsterite from atomic scale simulations: the role of disclinations

Philosophical Magazine
2016 | Journal article
WOSUID:

WOS:000376076500003

Contributors: Sun, X. Y.; Cordier, P.; Taupin, V.; Fressengeas, C.; Jahn, S.
Source: Self-asserted source
Sandro Jahn via ResearcherID
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From atomic structure to excess entropy: a neutron diffraction and density functional theory study of CaO-Al2O3-SiO2 melts

Journal of Physics-Condensed Matter
2016 | Journal article
WOSUID:

WOS:000371905200016

Contributors: Liu, M. Y.; Jacob, A.; Schmetterer, C.; Masset, P. J.; Hennet, L.; Fischer, H. E.; Kozaily, J.; Jahn, S.; Gray-Weale, A.
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Sandro Jahn via ResearcherID
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Interpretation of Raman spectra of the zircon-hafnon solid solution

European Journal of Mineralogy
2016 | Journal article
Contributors: Anja Maria Grüneberger; Christian Schmidt; Sandro Jahn; Dieter Rhede; Anselm Loges; Max Wilke
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Phase transitions in the system CaCO<sub>3</sub> at high P and T determined by in situ vibrational spectroscopy in diamond anvil cells and first-principles simulations

Physics and Chemistry of Minerals
2016 | Journal article
Contributors: Koch-Mueller, Monika; Jahn, Sandro; Birkholz, Natalie; Ritter, Eglof; Schade, Ulrich
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Raman spectroscopy of siderite at high pressure: Evidence for a sharp spin transition

American Mineralogist
2016 | Journal article
Contributors: Mueller, Jan; Speziale, Sergio; Efthimiopoulos, Ilias; Jahn, Sandro; Koch-Mueller, Monika
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Structural and dynamical properties of supercritical H2O-SiO2 fluids studied by ab initio molecular dynamics

Chemical Geology
2016 | Journal article
WOSUID:

WOS:000371214700008

Contributors: Spiekermann, G.; Wilke, M.; Jahn, S.
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Sandro Jahn via ResearcherID
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Complexation of Zr and Hf monomers in supercritical aqueous solutions: Insights from ab initio molecular dynamics simulations

Chemical Geology
2015 | Journal article
WOSUID:

WOS:000366653200004

Contributors: Jahn, S.; Dubrail, J.; Wilke, M.
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Sandro Jahn via ResearcherID
grade
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Development of chemical and topological structure in aluminosilicate liquids and glasses at high pressure

Journal of Physics-Condensed Matter
2015 | Journal article
WOSUID:

WOS:000349895700006

Contributors: Drewitt, J. W. E.; Jahn, S.; Sanloup, C.; de Grouchy, C.; Garbarino, G.; Hennet, L.
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Sandro Jahn via ResearcherID
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Equation of state and elasticity of the 3.65 angstrom phase: Implications for the X-discontinuity

American Mineralogist
2015 | Journal article
WOSUID:

WOS:000362694600019

Contributors: Mookherjee, M.; Speziale, S.; Marquardt, H.; Jahn, S.; Wunder, B.; Koch-Muller, M.; Liermann, H. P.
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Sandro Jahn via ResearcherID
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Cr(III) solubility in aqueous fluids at high pressures and temperatures

Geochimica Et Cosmochimica Acta
2014 | Journal article
WOSUID:

WOS:000329504800013

Contributors: Watenphul, A.; Schmidt, C.; Jahn, S.
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Sandro Jahn via ResearcherID
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Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling

American Mineralogist
2014 | Journal article
WOSUID:

WOS:000329416700006

Contributors: Finkelstein, G. J.; Dera, P. K.; Jahn, S.; Oganov, A. R.; Holl, C. M.; Meng, Y.; Duffy, T. S.
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Peer review (21 reviews for 11 publications/grants)

Review activity for Chemical communications. (1)
Review activity for Chemical geology. (1)
Review activity for Communications earth & environment. (1)
Review activity for Contributions to mineralogy and petrology. (2)
Review activity for Contributions to mineralogy and petrology. (1)
Review activity for Crystal growth & design. (1)
Review activity for Geochimica et cosmochimica acta. (4)
Review activity for Journal of materials chemistry. (3)
Review activity for Journal of physical chemistry. (1)
Review activity for Physics and chemistry of minerals. (1)
Review activity for Physics and chemistry of minerals. (5)