Guillaume Ferlat
Guillaume Ferlat
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Boroxol rings in liquid and vitreous B 2 O 3 from first principles
G Ferlat, T Charpentier, AP Seitsonen, A Takada, M Lazzeri, L Cormier, ...
Physical review letters 101 (6), 065504, 2008
Van der Waals effects in ab initio water at ambient and supercritical conditions
R Jonchiere, AP Seitsonen, G Ferlat, AM Saitta, R Vuilleumier
The Journal of chemical physics 135 (15), 154503, 2011
Nature of the structural transformations in B 2 O 3 glass under high pressure
VV Brazhkin, Y Katayama, K Trachenko, OB Tsiok, AG Lyapin, E Artacho, ...
Physical review letters 101 (3), 035702, 2008
Sulfur radical species form gold deposits on Earth
GS Pokrovski, MA Kokh, D Guillaume, AY Borisova, P Gisquet, ...
Proceedings of the National Academy of Sciences 112 (44), 13484-13489, 2015
Hydration of the bromine ion in a supercritical 1: 1 aqueous electrolyte
G Ferlat, A San Miguel, JF Jal, JC Soetens, PA Bopp, I Daniel, S Guillot, ...
Physical Review B 63 (13), 134202, 2001
Hidden polymorphs drive vitrification in B2O3
G Ferlat, AP Seitsonen, M Lazzeri, F Mauri
Nature Materials [arXiv preprint arXiv:1209.3482] 11, 925, 2012
Evidence of fivefold-coordinated Ge atoms in amorphous GeO 2 under pressure using inelastic x-ray scattering
G Lelong, L Cormier, G Ferlat, V Giordano, GS Henderson, A Shukla, ...
Physical Review B 85 (13), 134202, 2012
Combining extended x-ray absorption fine structure with numerical simulations for disordered systems
G Ferlat, JC Soetens, A San Miguel, PA Bopp
Journal of Physics: Condensed Matter 17 (5), S145, 2005
Density-driven structural transformations in B 2 O 3 glass
A Zeidler, K Wezka, DAJ Whittaker, PS Salmon, A Baroni, S Klotz, ...
Physical Review B 90 (2), 024206, 2014
Two exchange-correlation functionals compared for first-principles liquid water
MV Fernández-Serra, G Ferlat, E Artacho
Molecular Simulation 31 (5), 361-366, 2005
Silver in geological fluids from in situ X-ray absorption spectroscopy and first-principles molecular dynamics
GS Pokrovski, J Roux, G Ferlat, R Jonchiere, AP Seitsonen, R Vuilleumier, ...
Geochimica et Cosmochimica Acta 106, 501-523, 2013
Remote determination of sample temperature by neutron resonance spectroscopy
HJ Stone, MG Tucker, Y Le Godec, FM Meducin, ER Cope, SA Hayward, ...
The quest for ion pairing in supercritical aqueous electrolytes
G Ferlat, A San Miguel, JF Jal, JC Soetens, PA Bopp, JL Hazemann, ...
Journal of molecular liquids 101 (1-3), 127-136, 2002
Evidence for symmetric cationic sites in zirconium-bearing oxide glasses
G Ferlat, L Cormier, MH Thibault, L Galoisy, G Calas, JM Delaye, ...
Physical Review B 73 (21), 214207, 2006
Ab initio studies of structural and electronic properties of solid indium selenide under pressure
G Ferlat, H Xu, V Timoshevskii, X Blase
Physical Review B 66 (8), 085210, 2002
The structural properties of cations in nuclear glasses
G Calas, L Galoisy, L Cormier, G Ferlat, G Lelong
Procedia Materials Science (Elsevier) 7, 23-31, 2014
Liquid B2O3 up to 1700 K: x-ray diffraction and boroxol ring dissolution
OLG Alderman, G Ferlat, A Baroni, M Salanne, M Micoulaut, CJ Benmore, ...
Journal of Physics: Condensed Matter 27 (45), 455104, 2015
First-principles calculations of structural changes in B 2 O 3 glass under pressure
K Trachenko, VV Brazhkin, G Ferlat, MT Dove, E Artacho
Physical Review B 78 (17), 172102, 2008
Dispersion effects in SiO 2 polymorphs: An ab initio study
H Hay, G Ferlat, M Casula, AP Seitsonen, F Mauri
Physical Review B 92 (14), 144111, 2015
Equilibrium fractionation of H and O isotopes in water from path integral molecular dynamics
C Pinilla, M Blanchard, E Balan, G Ferlat, R Vuilleumier, F Mauri
Geochimica et Cosmochimica Acta 135, 203-216, 2014
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