COST CYPHER Training School on the
Analysis, uncertainty quantification, validation,
optimization and reduction of combustion kinetic mechanisms

2-5 September, 2025    Budapest, Hungary

Program of the Training School

Lectures

Computer sessions

Poster session

Lunch

Social activity

Schedule


September 2
Tuesday
September 3
Wednesday
September 4
Thursday
September 5
Friday
8:00-8:30
registration
8:30-9:30
practice 4-1
Nagy
9:30-9:40
short break
short break
short break
short break
9:40-10:40
10:40-11:10
break with refreshments
break with refreshments
break with refreshments
break with refreshments
11:10-12:10
practice 4-3
Nagy
12:10-12:20
short break
short break
short break
short break
12:20-13:20
practice 4-4
Papp
13:20-14:50
lunch break
lunch break
lunch break
lunch break
14:50-15:50
poster session
15:50-16:20
break with refreshments
break with refreshments

16:20-17:20
software installation help
practice 2-2
Valkó

18:00-22:00



Lectures

Tuesday 1-1 (Turányi)
Reaction kinetics basics for combustion simulations; local sensitivity analysis

Tuesday 1-2 (Turányi)
Uncertainty of data and parameters
(uncertainty of combustion measurements, rate coefficients, Arrhenius parameters and thermodynamic data)

Tuesday 1-3 (Tomlin)
Chemical kinetics data
(sources of data, conventional and automatic mechanism generation (AMG), use of machine learning in AMG and rate constant estimation)

Tuesday 1-4 (Szanthoffer)
Validation of detailed combustion mechanisms

Wednesday 2-1 (Tomlin)
Global uncertainty analysis 1
(screening methods; Monte Carlo methods and structured sampling approaches using Latin hypercube and low discrepancy sampling sampling)

Wednesday 2-2 (Tomlin)
Global uncertainty analysis 2
(variance based sensitivity indices, HDMR, polynomial chaos methods)

Wednesday 2-3 (Nagy)
Optimization of detailed combustion mechanisms

Wednesday 2-4 (Stagni)
Curve matching, Surface matching optimization

Thursday 3-1 (Nagy)
Reduction of reaction mechanisms 1
(creation of skeleton mechanisms)

Thursday 3-2 (Goussis)
Reduction of reaction mechanisms 3
(time scale analysis, methods based on time-scale separation)

Thursday 3-3 (Goussis)
Reduction of reaction mechanisms 4
(methods based on time-scale separation: CSP, ILDM, ISAT, REDIM)

Thursday 3-4 (Tomlin)
Reduction of reaction mechanisms 2
(fitted models, in-situ tabulation and species lumping)

Hands-on computer sessions

Please bring your Windows or Linux laptop with all codes preinstalled.

For those who encounter difficulties, we will hold a dedicated installation session on Tuesday from 16:20 to 17:20

The suggested codes include MATLAB, Fortran and C++ source codes, Windows and Linux executable files (see the table below).

Wednesday P2-1 (Papp)
CombustionData and ReSpecTh web sites
example files

Wednesday P2-2 (Valkó)
k-evaluation web page

Thursday P3-1 (Tomlin)
High Dimensional Model Representation
GUI-HDMR code

Thursday P3-2 (Dinelli)
POLIMI codes: OpenSMOKE++, OptiSMOKE++

Friday P4-1 (Nagy)
Skeletal mechanism reduction in practice

Friday P4-2 (Szanthoffer)
Using the Optima++ code for mechanism validation
example files

Friday P4-3 (Nagy)
Using the Optima++ code for mechanism optimization

Friday P4-4 (Papp)
Reaction pathway visualization with FluxViewer++

Master table of the codes:

name session format available from
CombustionData Wed P2-1 (Papp) web site https://combustiondata.elte.hu
ReSpecTh Wed P2-1 (Papp) web site https://respecth.hu
k-evaluation Wed P2-2 (Valkó) web site https://k-evaluation.elte.hu
GUI-HDMR Thu P3-1 (Tomlin) MATLAB executable https://respecth.hu
OpenSMOKE++ Thu P3-2 (Dinelli) executable
(Windows and MacOs)
Link to the repository
SEM Fri P4-1 (Nagy) executable
(Windows and Linux)
https://respecth.hu
Optima++ Fri P4-2 (Szanthoffer)
Fri P4-3
(Nagy)
executable
(Windows and Linux)
https://respecth.hu
FluxViewer++ Fri P4-4 (Papp) executable
(Windows and Linux)
https://respecth.hu

Poster session

The posters will be on display throughout the week in room 160 and can be read during the coffee breaks. Additionally, a dedicated poster session will take place on Tuesday afternoon, from 14:50 to 16:20. We expect A0 posters in portrait orientation.

  1. András Gy. Szanthoffer1,2,*, Máté Papp1, Tibor Nagy3, Tamás Turányi1
    Comprehensive testing of recent detailed combustion mechanisms against NH3 and NH3/H2 experimental data
    1 Institute of Chemistry, ELTE Eötvös Loránd University, Budapest, Hungary
    2 Hevesy György PhD School of Chemistry, ELTE Eötvös Loránd University, Budapest, Hungary
    3 Institute of Materials and Environmental Chemistry, HUN-REN Research Centre for Natural Sciences, Budapest, Hungary
  2. Máté Papp1, András Gy. Szanthoffer1,2,*, Tamás Turányi1
    A new web page for the easy creation and modification of RKD format combustion data files: combustiondata.elte.hu
    1 Institute of Chemistry, ELTE Eötvös Loránd University, Budapest, Hungary
    2 Hevesy György PhD School of Chemistry, ELTE Eötvös Loránd University, Budapest, Hungary
  3. Alvina MENDY 1, *, Jérémy BOURGALAIS2, Frédérique BATTIN-LECLERC1
    Theoretical and experimental study of oxidation using synchrotron-based photoelectron spectroscopy and quantum chemical calculations
    1 Université de Lorraine, CNRS, LRGP, F-54001 Nancy, France
    2 Université de Rennes, CNRS, IPR, F-35000 Rennes, France
  4. Ali Alnasif1,2, Joanna Jójka3, Máté Papp4, András Gy. Szanthoffer4,5, Marina Kovaleva1, Tamás Turányi4, Syed Mashruk1, Agustin Valera-Medina1,*, Tibor Nagy6,*
    A compact kinetic reaction mechanism for the oxidation of NH3/H2 mixtures
    1 College of Physical Sciences and Engineering, Cardiff University, Cardiff, CF24 3AA, United Kingdom
    2 Engineering Technical College of Al-Najaf, Al-Furat Al-Awsat Technical University, Najaf, 31001, Iraq
    3 Institute of Thermal Engineering, Poznan University of Technology, 60-965 Poznan, Poland
    4 Institute of Chemistry, ELTE Eötvös Loránd University, Budapest, 1117, Hungary
    5 Hevesy György PhD School of Chemistry, ELTE Eötvös Loránd University, Budapest, 1117, Hungary
    6 Institute of Materials and Environmental Chemistry, HUN-REN Research Centre for Natural Sciences, Budapest, 1117, Hungary
  5. Maria Mitu1,2,*, Elisabeth Brandes3
    Safety parameters of 2-propanol – air mixtures
    1 Ilie Murgulescu Institute of Physical Chemistry, Romanian Academy, 202 Spl. Independentei, 060021 Bucharest, Romania
    2 Invited researcher, Physikalisch-Technische Bundesanstalt (PTB), 100 Bundesallee, 38116 Braunschweig, Germany
    3 Physikalisch-Technische Bundesanstalt (PTB), 100 Bundesallee, 38116 Braunschweig, Germany
  6. E. Kostarellou1,*, M. Mouratidis1, E. Gkagkari1, A. Asimakopoulou1, T. Damartzis1,2, G. Skevis1, Α.Katsinos3, T. Kaimakamis3, A. Tomboulides3, V.K. Michalis4, V. Stroungaris4, N. Poulianas4, M.S. Katsiotis4, I.N. Tsimpanogiannis1
    A Critical Review of Cp Calculations within the Fluidized Bed of Cement Rotary Kilns
    1 Laboratory of Advanced Renewable Technologies & Environmental Materials in Integrated Systems, Chemical Process & Energy Resources Institute, Centre for Research & Technology Hellas, 57001, Greece
    2 Laboratory of Chemical Process and Plant Design, Department of Chemical Engineering, Aristotle University of Thessaloniki, 54124, Greece
    3 Laboratory of Applied Thermodynamics, Department of Mechanical Engineering, Aristotle University of Thessaloniki, 54124, Greece
    4 TITAN Cement S.A., 11143, Greece
  7. Samuel Colin1,*
    Experimental Study of NOx Emissions in Hydrogen-Based Coal Replacement for Rotary Kilns
    1 Chalmers University of Technology and LKAB
  8. Guebli Ridha1, Addour Khalissa1, Hadef Amar1,*1
    Determination of the Flameless Combustion Regime of a Dimethyl Ether (DME) and Syngas Mixture
    1 Laboratoire CMASMTF, FSSA, Université Oum El Bouaghi, Algerie
  9. Johannes Losacker1,*, Alex Garcia Vergara1, Nico Schmitz1, Christian Wuppermann1
    Full-Spectrum k-distribution Weighted Sum of Gray Gases Model for Air and Oxyfuel Combustion of Hydrogen-Hydrocarbon Blends
    1 Department for Industrial Furnaces and Heat Engineering, RWTH Aachen University
  10. MohammadReza Kohansal1,*, Anatoli Mokhov2, Sander Gersen3, Rob Bastiaans1
    Threshold Behavior of NH3/H2 Ignition Delay Time
    1 Eindhoven University of Technology
    2 University of Groningen
    3 DNV GL Oil & Gas
  11. Addour Khalissa1, Guebli Ridha1, Mameri Abdelbaki1,*, Hadef Amar1,*
    MILD combustion of ammonia/hydrogen mixture in adiabatic Well Stirred Reactor (WSR).
    1 CMASMTF Laboratory, FSSA, University Oum El Bouaghi, Algeria
  12. Rafiq Bin Hassan1, Abhijeet Raj1,*
    A comprehensive reaction mechanism for the combustion of gasoline with C1-C5 alcohol blends and the formation of large polycyclic aromatic hydrocarbons (PAHs)
    1 Department of Chemical Engineering, Indian Institute of Technology Delhi, New Delhi 110016, India
  13. Gilles Dossche1,*, Kevin De Ras1, Maarten K. Sabbe1, Joris W. Thybaut1, Kevin M. Van Geem1
    Fast and Accurate Estimation of Kinetic Parameters for the Unimolecular Decomposition of Cyclic Ethers
    1 Laboratory for Chemical Technology - Ghent University
  14. Chengcheng Liu1, Chenyue Tao1, Chenxuan Li1, Peng Zhang1, Qiao Wang1, Yi Gao1, Yiru Wang1, Chung K. Law2,1, Bin Yang1,*
    Bayesian Sequential Experimental Design for Combustion Kinetics Models: A Surrogate-Assisted Nonlinear Framework with Improved Information Gain
    1 Center for Combustion Energy and Department of Energy and Power Engineering, Tsinghua University, Beijing 100084, China
    2 Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, New Jersey 08544, USA
  15. John Mampilli1,*, Navraj Lalli1, Andrea Giusti1
    Electromagnetic Interactions on Hydrogen Flames at the Atomistic Scale
    1 Imperial College London
  16. Aleksandar Ribnishki1,*, Stefania Esposito1, Sam Akehurst1, Hao Yuan1
    A Novel Deterministic Chemical Kinetic Mechanism Optimisation Technique: A Case Study
    1 Institute for Advanced Automotive Propulsion Systems (IAAPS), University of Bath, Bath, UK
  17. Katherine Stevenson1,*, Forwood Wiser1, V. Faye McNeill1
    Implementation and assessment of the Automated MOdel REduction (AMORE v2.0) algorithm on monoterpenes
    1 Columbia University
  18. Ákos Veres-Ravai1,2,*, István Gy. Zsély1, Máté Papp1, Tamás Turányi1
    Investigating the combustion of dimethyl ether/ammonia mixtures by chemical kinetic modelling
    1 Institute of Chemistry, ELTE Eötvös Loránd University, Budapest, Hungary
    2 Hevesy György PhD School of Chemistry, ELTE Eötvös Loránd University, Budapest, Hungary
  19. Tianhan Zhang1,*
    Deep learning for combustion kinetic model reduction, optimization and acceleration
    1 Beihang University
  20. V. Stegmayer1,*, V. Bykov1, U. Maas1
    Kinetic reduced models for burner stabilised flames with flame retardant
    1 Institute of Technical Thermodynamics, Karlsruhe Institute of Technology, Germany
  21. Hans-Heinrich Carstensen1,*
    Wrestling with the Phenyl+O2 reaction (work-in-progress)
    1 ARAID/University of Zaragoza

Lunch

TUESDAY, 2 September

Soup: Potato soup with leeks (gluten)

Main (non-vegetarian option): Lasagna with tomato sauce (lactose, gluten)

Main (vegetarian/vegan option): Spring vegetable lasagna (gluten, soy)

Dessert: Waffles with forest fruit sauce (gluten, egg, lactose, soy)

WEDNESDAY, 3 September

Soup: Kale soup (celery, lactose)

Main (non-vegetarian option): Chicken paprika with dumplings (egg, gluten, lactose)

Main (vegetarian/vegan option): Chicken paprika with spinach dumplings (gluten, soy)

Dessert: Sacher cake (lactose, gluten, egg)

THURSDAY, 4 September

Soup: Sweet potato cream soup (lactose)

Main (non-vegetarian option): Cordon bleu with parsley potatoes (gluten, egg, lactose)

Main (vegetarian option): Fried cheese with parsley potatoes (lactose, gluten, egg, soy)

Dessert: Sour cherry sponge cake (gluten, egg)

FRIDAY, 5 September

Soup: Vegetable soup (celery)

Main (non-vegetarian option): Bakonyi pork ragout with jasmine rice (lactose, gluten)

Main (vegetarian/vegan option): Sweet potato curry ragout with basmati rice

Dessert: Mango slices (lactose, gluten, egg, soy)

The lunch will be on ship A38 on the Danube. The ship is 8 min (500 m) walking from the exit of the Chemistry Building (see the image below).

Social activity

The "networking event" is a dinner in restaurant Trófea Grill Újbuda
on 4th September, 18:00-23:00.
Address: 1117 Budapest, Hauszmann Alajos u. 6/b.

There will be a guided tour to the restaurant starting at 17:30 from room 0.83 (11 min walking (800 m) + 2 stops with tram 1).

You may also go to the restaurant individually: take tram 1, get off at the Hauszmann Alajos/Szerémi út stop and you will find yourself right in front of the restaurant.
 

This is an "all-you-can-eat" restaurant, which means unlimited food and drink consumption. Fans of traditional Hungarian food will find their favorites as well as those interested in reform cuisine. As part of the buffet, you can find fresh raw meats and vegetables aged in different marinades, which the chefs prepare based on your choice in our grill show kitchen and can be eaten within a few minutes. The beverage selection includes wines, champagne, draft beer, carbonated and fiber soft drinks, mineral water, coffee and cappuccione.



Certain dishes on the buffet are labelled with allergens, products and ingredients that may cause sensitivities. Cross-contamination may occur. The Chef will be happy to help you with any queries you may have, please do not hesitate to contact him.

Main topics

Hungarian Section

The COST Training School on the Analysis of Combustion Mechanisms is hosted by the Hungarian Section of the
Combustion Institute

Hungarian Section

Recommended reading

Tamás Turányi and Alison S. Tomlin:
Analysis of kinetic reaction mechanisms
Springer, 2014
with 1025 references

Springer book