Tuesday Morning |
| Time |
Session |
Location |
Title |
| 0800 |
V21A |
MCC 3008 |
State of the Art in Theory of Materials:
Methods and Applications II
(joint with P, NG, MR,
DI)
Presiding: G Steinle-Neumann, Bayerisches Geoinstitut,
University Bayreuth; R M Wentzcovitch, Minnesota Supercomputer
Institute
[Session
PDF] |
| 0800 |
V21A-01 |
MCC 3008 |
Predictive Capabilities for Strongly
Correlated Systems: Spectral Density Functional Theory and its
Applications
*S Savrasov
INVITED [details] |
| 0815 |
V21A-02 |
MCC 3008 |
Towards First Principles Spin Dynamics
Calculations of the Magnetic Structure of Materials
*M Stocks, B
Ujfalussy, M Eisenbach
[details] |
| 0830 |
V21A-03 |
MCC 3008 |
The effect of shear deformations on the
transition onset pressure of the bcc to hcp pressure induced martensitic
phase transformation in iron.
*K Caspersen, A Lew, M Ortiz, E
Carter
[details] |
| 0845 |
V21A-04 |
MCC 3008 |
Quantum Monte Carlo Method for Materials
--- Random Walks in Slater Determinant Space
*S Zhang, H
Krakauer
INVITED [details] |
| 0900 |
V21A-05 |
MCC 3008 |
Quantum Monte Carlo Simulation of High
Pressure Materials
*B Militzer
[details] |
| 0915 |
V21A-06 |
MCC 3008 |
New Non-local Density Functionals for More
Accurate First-principles Calculations
*Z Wu, R E Cohen, D J
Singh
[details] |
| 0930 |
V21A-07 |
MCC 3008 |
Low $<->$ high density
transformations in ice
*K Umemoto, R M Wentcovich
[details] |
| 0945 |
V21A-08 |
MCC 3008 |
A determination of the melting slope of MgO
from first principles
*P Tangney, S Scandolo
[details] |