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:
GS/MSA Thermodynamics short course program online
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Program for Room S1/Sp
Monday 22nd June AM: Room S1/Sp
19c (Oral): Geochemical Properties of Nanopores and Nanoparticles
Session chaired by Maria Alfredsson & Ian C. Bourg
09:30
Synthesis and Properties of Nanostruсtured Titanium Minerals
Ponaryadov A
09:45
Atomistic Simulation of the Crystallisation and Growth of Calcium Carbonate Nano-Particles
Cooke D
& Elliott J
10:00
Investigating Organic – Clay Interactions
Greenwell C
& Coveney P
10:15
Keynote:
Structure and Dynamics in Clays from Molecular Simulations
Marry V
, Rotenberg B, Dufrêche J-F, Malikova N, Vuilleumier R & Turq P
Monday 22nd June AM: Room S1/Sp
19b (Oral): Biological and Biomimetic Crystal Growth/Dissolution Mechanisms from Computational Chemistry
Session chaired by Nora de Leeuw
11:00
Keynote:
Modelling Biomineralization Processes
Duffy D
, Freeman C, Harding J, Quigley D & Rodger M
11:30
Keynote:
Molecular Simulations of Succinate Adsorption at Steps on Calcite {104}
Mkhonto D &
Sahai N
11:45
Controlled Growth of Different Calcium Carbonate Polymorphs as Induced by the Presence of Dissolved Molecules and Mineral Surfaces
Becker U
& Hu Q
12:00
Computer Simulations of the Interaction of Bio-Molecules with Hydroxyapatite Surfaces in Aqueous Environment
Almora Barrios N
& de Leeuw N
12:15
DFT+U Study of the Iron Sulphide Mineral Greigite (Fe
3
S
4
)
Devey A
, Grau Crespo R & de Leeuw N