|
Date
|
Time |
Topic |
Speaker(s) |
| Mo, 11.10.2021 |
14:00 |
Welcome and general introduction |
O. Peil, A. Ruban, J. Spitaler |
| 14:30 |
Basics of Density Functional Theory |
C. Draxl |
| 15:30 |
Introduction to the machinery of GreenALM |
O. Peil |
| Di, 12.10.2021 |
09:00 |
Green's function DFT for alloys |
J. Staunton |
| 10:00 |
Introduction to calculations of random alloys with GreenALM |
O. Peil |
| 14:00 |
Structural transitions |
S.Simak |
| 15:00 |
Introduction to calculation of alloy properties with GreenALM |
A. Ruban |
| Mi, 13.10.2021 |
09:00 |
Thermodynamic and mechanical properties at finite temperatures |
P. Korzhavyi |
| 10:00 |
Introduction to magnetic calculations |
A. Ruban |
| 14:00 |
Defects in metals and alloys at finite temperatures from DFT |
B. Grabowski |
| 15:00 |
Introduction to thermal properties with GreenALM |
J. Spitaler |
| Do, 14.10.2021 |
09:00 |
Ab-initio informed thermokinetic modeling of metallic alloys |
L. Romaner |
| 09:45 |
Accelerated alloy design based on machine learning and DFT |
O. Peil, J. Spitaler |
| 11:00 |
Multi-scale simulation of mechanical properties and solid solution strengthening (SSS) |
F. Maresca |
| 13:30 |
Introduction to SSS workflow based on GreenALM |
F. Moitzi |
