Sandro Jahn
Sandro Jahn
Professor für Mineralogie-Kristallographie, Universität zu Köln
Verified email at uni-koeln.de - Homepage
TitleCited byYear
Microscopic structure of water at elevated pressures and temperatures
CJ Sahle, C Sternemann, C Schmidt, S Lehtola, S Jahn, L Simonelli, ...
Proceedings of the National Academy of Sciences 110 (16), 6301-6306, 2013
992013
Multipoles and interaction potentials in ionic materials from planewave-DFT calculations
A Aguado, L Bernasconi, S Jahn, PA Madden
Faraday discussions 124, 171-184, 2003
902003
Including many-body effects in models for ionic liquids
M Salanne, B Rotenberg, S Jahn, R Vuilleumier, C Simon, PA Madden
Theoretical Chemistry Accounts 131 (3), 1143, 2012
842012
From first-principles to material properties
PA Madden, R Heaton, A Aguado, S Jahn
Journal of Molecular Structure: THEOCHEM 771 (1-3), 9-18, 2006
822006
Modeling Earth materials from crustal to lower mantle conditions: A transferable set of interaction potentials for the CMAS system
S Jahn, PA Madden
Physics of the Earth and Planetary Interiors 162 (1-2), 129-139, 2007
742007
Ab initio prediction of equilibrium boron isotope fractionation between minerals and aqueous fluids at high P and T
PM Kowalski, B Wunder, S Jahn
Geochimica et Cosmochimica Acta 101, 285-301, 2013
542013
Condensed phase ionic polarizabilities from plane wave density functional theory calculations
RJ Heaton, PA Madden, SJ Clark, S Jahn
The Journal of chemical physics 125 (14), 144104, 2006
502006
Prediction of equilibrium Li isotope fractionation between minerals and aqueous solutions at high P and T: an efficient ab initio approach
PM Kowalski, S Jahn
Geochimica et Cosmochimica Acta 75 (20), 6112-6123, 2011
462011
The construction and application of a fully flexible computer simulation model for lithium oxide
M Wilson, S Jahn, PA Madden
Journal of Physics: Condensed Matter 16 (27), S2795, 2004
412004
Thermal conductivity of MgO, MgSiO3 perovskite and post-perovskite in the Earth's deep mantle
V Haigis, M Salanne, S Jahn
Earth and Planetary Science Letters 355, 102-108, 2012
392012
Vibrational mode frequencies of silica species in SiO2-H2O liquids and glasses from ab initio molecular dynamics
G Spiekermann, M Steele-MacInnis, C Schmidt, S Jahn
The Journal of Chemical Physics 136 (15), 154501, 2012
392012
Lithium speciation in aqueous fluids at high P and T studied by ab initio molecular dynamics and consequences for Li-isotope fractionation between minerals and fluids
S Jahn, B Wunder
Geochimica et Cosmochimica Acta 73 (18), 5428-5434, 2009
392009
Mg2SiO4 liquid under high pressure from molecular dynamics
O Adjaoud, G Steinle-Neumann, S Jahn
Chemical Geology 256 (3-4), 185-192, 2008
362008
Theoretical approaches to structure and spectroscopy of earth materials
S Jahn, PM Kowalski
Reviews in Mineralogy and Geochemistry 78 (1), 691-743, 2014
352014
Phase transitions and equation of state of forsterite to 90 GPa from single-crystal X-ray diffraction and molecular modeling
GJ Finkelstein, PK Dera, S Jahn, AR Oganov, CM Holl, Y Meng, TS Duffy
American Mineralogist 99 (1), 35-43, 2014
342014
Structure and dynamics in liquid alumina: simulations with an ab initio interaction potential
S Jahn, PA Madden
Journal of Non-Crystalline Solids 353 (32-40), 3500-3504, 2007
342007
Structural transformations on vitrification in the fragile glass-forming system CaAl 2 O 4
JWE Drewitt, L Hennet, A Zeidler, S Jahn, PS Salmon, DR Neuville, ...
Physical review letters 109 (23), 235501, 2012
332012
Transferable interaction model for Al 2 O 3
S Jahn, PA Madden, M Wilson
Physical Review B 74 (2), 024112, 2006
332006
The structure of liquid calcium aluminates as investigated using neutron and high energy x-ray diffraction in combination with molecular dynamics simulation methods
JWE Drewitt, S Jahn, V Cristiglio, A Bytchkov, M Leydier, S Brassamin, ...
Journal of Physics: Condensed Matter 23 (15), 155101, 2011
322011
The structure of liquid calcium aluminates as investigated using neutron and high energy x-ray diffraction in combination with molecular dynamics simulation methods
JWE Drewitt, S Jahn, V Cristiglio, A Bytchkov, M Leydier, S Brassamin, ...
Journal of Physics: Condensed Matter 23 (15), 155101, 2011
322011
The system can't perform the operation now. Try again later.
Articles 1–20