Instructors and Program

Courses will be given by world leading experts including:
Prof. Kevrekidis, Princeton University (USA)
Prof. Deutschmann, Karlsruhe Institute of Technology (DE)
Prof. Maestri, Politecnico di Milano (IT)
Prof. Reuter, TU Munich (DE)
Prof. Saeys, Ghent University (BE)
Prof. Froudakis, University of Crete (GR)
Prof. Dittmeyer, Karlsruhe Institute of Technology (DE)

Course will cover topics in:
- Different scales of modelling
- Density Functional Theory and micro kinetics,
- Kinetic monte carlo simulations,
- Computational Fluid Dynamics and macro kinetics,
- Reactor design

The multimod summer school program follows.

 

Monday, September 18th, 2017

08:30 -12:00

Arrival

12:00 - 13:00

Registration

13:00 - 14:30

Lunch

14:30 - 15:30

Welcome: Multiscale modeling in chemical reaction engineering: present and
future Prof. H. Freund (FAU), Prof. U. Krewer (TUB)

15.30 – 16.00

Break

16:00 - 17:00

Lecture: Combining modeling and experiments in pilot catalytic processes
Dr. S. Voutetakis (CERTH)

17:00 - 17:30

Break

17:30 - 19:00

Lecture: No equations, no variables, no parameters:
Data and the computational modeling of complex/multiscale systems
Prof. Y. Kevrekidis (Princeton)

19:00 -  Dinner

 

 

Tuesday, September 19th, 2017

08:30 - 10:00

Lecture: Ab-initio quantum chemistry calculations
Prof. G. Froudakis (U Crete)

10:00 - 10:30

Break

10:30 - 12:00

Lecture: DFT-guided construction of microkinetic models
Prof. M. Saeys (U Ghent)

12:00 - 13:00

Discussions

13:00 - 14:30

Lunch

14:30 - 16:00

Exercise: Calculating with Gaussian
Prof. G. Froudakis (U Crete)

16:00 - 16:30

Break

16:30 - 18:00

Exercise: Construction of microkinetic models
Prof. M. Saeys (U Ghent)

18:00 - 19:00

Discussions

19:00 - 20:00

Dinner

20:30 - 23:30 Transportation by boat to Neos Marmaras and return to the hotel by boat, departing at 23:30

 

 

Wednesday, September 20th, 2017

08:30 - 10:00

Lecture: First-principles kinetic Monte Carlo simulations
Prof. K. Reuter (TUM)

10:00 - 10:30

Break

10:30 - 12:00

Exercise: Application of kMC models in heterogeneous catalysis
Prof. K. Reuter (TUM)

12:00 - 13:00

Discussions

13:00 - 15:00

Lunch

15:00 - 16:30

Excursion- Wine tasting

16:30 - 20:00

Free time

20:00 -

Gala Dinner

 

 

Thursday, September 21st, 2017

08:30 - 10:00

Lecture: From micro to macro kinetics of heterogeneously catalyzed reactions
Prof. O. Deutschmann (KIT)

10:00 - 10:30

Break

10:30 - 12:00

Exercise: Simulation tools of the DETCHEM package: From equilibrium to 2d transient
simulations Prof. O. Deutschmann (KIT)

12:00 - 13:00

Discussions

13:00 - 14:30

Lunch

14:30 - 16:00

Lecture: Coupling detailed microkinetic modeling and CFD
Prof. M. Maestri (Politech. Milan)

16:00 - 16:30

Break

16:30 - 18:00

Exercise: Catalytic monolith with circular-duct
Prof. M. Maestri (Politech. Milan)

18:30 - 20:00

Poster Session

20:00 -

Dinner

 

 

Friday, September 22nd, 2017

08:15 - 09:45

Lecture: Macrokinetics and reactor simulations using Matlab tools
Prof. R. Dittmeyer (KIT)

09:45 - 10:05

Break

10:05 - 11:35

Exercise: Reactor simulations
Prof. R. Dittmeyer (KIT)

11:35 - 11:45

Take-away Lunch Basket

11:45 -

Departure

 

Contact Us

Please contact the Summer School sectretary:
Ms. Stavroula Vakla

  • 6km Harilaou - Thermis
  • +2310498302
  • +2310498380
  • This email address is being protected from spambots. You need JavaScript enabled to view it.

Location of the summer school