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Cr(III) solubility in aqueous fluids at high pressures and temperatures

Geochimica et cosmochimica acta, 2014-02, Vol.126, p.212-227

2014

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Thermal conductivity of MgO, MgSiO3 perovskite and post-perovskite in the Earth's deep mantle

Earth and planetary science letters, 2012-11, Vol.355-356, p.102-108

2012

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Structural and dynamical properties of supercritical H2O–SiO2 fluids studied by ab initio molecular dynamics

Chemical geology, 2016-05, Vol.426, p.85-94

2016

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Including many-body effects in models for ionic liquids

Theoretical chemistry accounts, 2012-03, Vol.131 (3), Article 1143

2012

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Trace element partitioning between silicate melts – A molecular dynamics approach

Geochimica et cosmochimica acta, 2017-05, Vol.205, p.245-255

2017

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Microscopic structure of water at elevated pressures and temperatures

Proceedings of the National Academy of Sciences - PNAS, 2013-04, Vol.110 (16), p.6301-6306

2013

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Vibrational mode frequencies of silica species in SiO2-H2O liquids and glasses from ab initio molecular dynamics

The Journal of chemical physics, 2012-04, Vol.136 (15), p.154501-154501

2012

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Development of chemical and topological structure in aluminosilicate liquids and glasses at high pressure

Journal of physics. Condensed matter, 2015-03, Vol.27 (10), p.105103-105103

2015

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Molecular Simulations of Oxide and Silicate Melts and Glasses

Reviews in mineralogy and geochemistry, 2022-05, Vol.87 (1), p.193-227

Jahn, Sandro

2022

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Anisotropy of self-diffusion in forsterite grain boundaries derived from molecular dynamics simulations

Contributions to mineralogy and petrology, 2016-12, Vol.171 (12), p.1-9, Article 98

2016

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Modeling Earth materials from crustal to lower mantle conditions: A transferable set of interaction potentials for the CMAS system

Physics of the earth and planetary interiors, 2007-06, Vol.162 (1), p.129-139

2007

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Speciation and dynamical properties of hydrous MgCO3 melt studied by ab-initio molecular dynamics

Geochimica et cosmochimica acta, 2024-03, Vol.368, p.147-155

2024

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Raman spectra of oxidized sulfur species in hydrothermal fluids

Journal of volcanology and geothermal research, 2024-10, Vol.454, p.108146, Article 108146

2024

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Cation Hydration in Supercritical NaOH and HCl Aqueous Solutions

The journal of physical chemistry. B, 2017-12, Vol.121 (50), p.11383-11389

2017

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Molecular dynamics simulations of Y in silicate melts and implications for trace element partitioning

Chemical geology, 2013-05, Vol.346, p.14-21

2013

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Strontium complexation in aqueous solutions and silicate glasses: Insights from high energy-resolution fluorescence detection X-ray spectroscopy and ab - initio modeling

Geochimica et cosmochimica acta, 2014-10, Vol.142, p.535-552

2014

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Li-isotope fractionation between silicates and fluids: Pressure dependence and influence of the bonding environment

European journal of mineralogy (Stuttgart), 2011-07, Vol.23 (3), p.333-342

2011

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Equation of state and elasticity of the 3.65 Å phase: Implications for the X-discontinuity

The American mineralogist, 2015-10, Vol.100 (10), p.2199-2208

2015

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Vibrational mode frequencies of H4SiO4, D4SiO4, H6Si2O7, and H6Si3O9 in aqueous environment, obtained from ab initio molecular dynamics

The Journal of chemical physics, 2012-10, Vol.137 (16), p.164506-164506

2012

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From Molten Calcium Aluminates through Phase Transitions to Cement Phases

Advanced science, 2020-01, Vol.7 (2), p.1902209-n/a

2020

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Assessing the validity and limits of linear density models for predicting dissociation–association equilibria in supercritical water

Geochimica et cosmochimica acta, 2024-10

2024

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Jens-Boie Suck (1938-2023)

Neutron news, 2024-01, Vol.35 (1), p.19-19

2024

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Calcium sulfates in planetary surface environments

Global and planetary change, 2023-11, Vol.230, p.104257, Article 104257

2023

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Speciation in Aqueous MgSO4 Fluids at High Pressures and High Temperatures from ab Initio Molecular Dynamics and Raman Spectroscopy

The journal of physical chemistry. B, 2010-12, Vol.114 (47), p.15565-15572

2010

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Condensed phase ionic polarizabilities from plane wave density functional theory calculations

The Journal of chemical physics, 2006-10, Vol.125 (14), p.144104-144104-10

2006

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Cr(III) solubility in aqueous fluids at high pressures and temperatures

Thermal conductivity of MgO, MgSiO3 perovskite and post-perovskite in the Earth's deep mantle

Structural and dynamical properties of supercritical H2O–SiO2 fluids studied by ab initio molecular dynamics

Including many-body effects in models for ionic liquids

Trace element partitioning between silicate melts – A molecular dynamics approach

Microscopic structure of water at elevated pressures and temperatures

Vibrational mode frequencies of silica species in SiO2-H2O liquids and glasses from ab initio molecular dynamics

Development of chemical and topological structure in aluminosilicate liquids and glasses at high pressure

Molecular Simulations of Oxide and Silicate Melts and Glasses

Anisotropy of self-diffusion in forsterite grain boundaries derived from molecular dynamics simulations

Modeling Earth materials from crustal to lower mantle conditions: A transferable set of interaction potentials for the CMAS system

Speciation and dynamical properties of hydrous MgCO3 melt studied by ab-initio molecular dynamics

Raman spectra of oxidized sulfur species in hydrothermal fluids

Cation Hydration in Supercritical NaOH and HCl Aqueous Solutions

Molecular dynamics simulations of Y in silicate melts and implications for trace element partitioning

Strontium complexation in aqueous solutions and silicate glasses: Insights from high energy-resolution fluorescence detection X-ray spectroscopy and ab - initio modeling

Li-isotope fractionation between silicates and fluids: Pressure dependence and influence of the bonding environment

Equation of state and elasticity of the 3.65 Å phase: Implications for the X-discontinuity

Vibrational mode frequencies of H4SiO4, D4SiO4, H6Si2O7, and H6Si3O9 in aqueous environment, obtained from ab initio molecular dynamics

From Molten Calcium Aluminates through Phase Transitions to Cement Phases

Assessing the validity and limits of linear density models for predicting dissociation–association equilibria in supercritical water

Jens-Boie Suck (1938-2023)

Calcium sulfates in planetary surface environments

Speciation in Aqueous MgSO4 Fluids at High Pressures and High Temperatures from ab Initio Molecular Dynamics and Raman Spectroscopy

Condensed phase ionic polarizabilities from plane wave density functional theory calculations

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