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 
Abinitio 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 
Multiscale simulation of mechanical properties and solid solution strengthening (SSS) 
F. Maresca 
13:30 
Introduction to SSS workflow based on GreenALM 
F. Moitzi 