Tuesday Morning |
| Time |
Session |
Location |
Title |
| 1020 |
V21E |
MCC 3008 |
State of the Art in Theory of Materials:
Methods and Applications III
(joint with P, MR,
DI)
Presiding: R Cohen, Carnegie Institution of Washington;
B Militzer, Carnegie Institution of Washington
[Session
PDF] |
| 1020 |
V21E-01 |
MCC 3008 |
FIRST PRINCIPLES PHASE DIAGRAM CALCULAIONS
WITH THE MAPS PACKAGE
*B P Burton
INVITED [details] |
| 1035 |
V21E-02 |
MCC 3008 |
First Principle Study of Olivine Solid
Solutions
*M Mookherjee, L Stixrude
[details] |
| 1050 |
V21E-03 |
MCC 3008 |
A statistical approach to atomistic
simulation of geophysical solid solutions
M S Bukowinski, *S
Akber-Knutson
[details] |
| 1105 |
V21E-04 |
MCC 3008 |
Spectroscopic and thermal properties of
minerals from density-functional perturbation theory
*K
Refson
INVITED [details] |
| 1120 |
V21E-05 |
MCC 3008 |
Ab initio studies of phonon softening at
high pressure in quartz SiO$_{2}$
*N Choudhury, S L Chaplot
[details] |
| 1135 |
V21E-06 |
MCC 3008 |
Solid state magnetic resonance from first
principles: applications to silicates
*C Pickard, M Profeta, F
Mauri
INVITED [details] |
| 1150 |
V21E-07 |
MCC 3008 |
Theoretical study on structural factors
correlated with $^{23}$Na NMR parameters
*J Tossell, Y Liu, H
Nekvasil
[details] |
| 1205 |
V21E-08 |
MCC 3008 |
Mineral Surfaces From First principles:
Structure, Adsorption and Hydration
*E Artacho, M V Fernandez-Serra, T
D Archer, J Wakelin, M T Dove
INVITED [details] |