To Wednesday 10 May 2023 - 05:30pm
Zoom link for the Invited Talks
https://ucl.zoom.us/j/92516879666?pwd=bStiQlU2RHJuNHNFditPV3ZXZ244Zz09
Meeting ID: 925 1687 9666
Passcode: 815875
General Information
The "Kinetic Monte Carlo (KMC) as a Tool for Understanding Catalytic Function" Workshop is organised in collaboration with Prof. Karsten Reuter in the Theory Department of the Fritz Haber Institute of the Max Planck Society, Berlin, Germany, and is co-sponsored by the Thomas Young Centre: the London Centre for the Theory and Simulation of Materials, London, UK, the ReaxPro Consortium, funded by the European Commission (grant agreement No 814416), and the Alexander von Humboldt Foundation, which sponsors Prof. Michail Stamatakis's visit to FHI. The Workshop will include invited talks that demonstrate the application of kinetic modelling to challenging catalysis problems or touch upon method development aspects, in addition to tutorials on the fundamentals behind the KMC method and practical sessions on KMC software Zacros.
Time and Place
The Workshop will take place at the Fritz Haber Institute from 8 to 10 May 2023 (three full days). The talks and poster sessions will be held in Building M, Richard-Willstätter-Haus, Faradayweg 10, 14195 Berlin, Germany. The hands-on computer practical sessions (tutorials) will take place in Building A, Faradayweg 4-6, 14195 Berlin, Germany. Instructions on how to reach the FHI can be found in: https://www.fhi.mpg.de/directions.
Mode of Delivery
The Workshop will be predominantly an on-site event. There will potentially be an online streaming option for the invited talks and the lectures on the fundamentals behind KMC. Still though, the hands-on sessions on Zacros will be delivered exclusively on-site without the possibility of online participation.
Travelling, Accommodation and Subsistence
Participants are advised to plan for arrival to the Fritz Haber Institute early in the morning of 8-May, for an estimated start at 10 am, and departure from the Fritz Haber Institute in the evening of 10-May (the last session of the day is estimated to finish around 5:30 pm). Participants are responsible for their costs and are free to choose their means of travelling and place of stay in Berlin. There are several hotels in the area, with good connections to the Workshop venue. One inexpensive option within walking distance is Hotel Pension Dahlem (Unter den Eichen 89A, 12205 Berlin, Germany), less than 15 min walking from Fritz Haber. Another one is Enjoy Hotel Berlin City Messe (Rudolstädter Str. 42, 10713 Berlin, Germany), which has a direct connection with U-Bahn U3 (station Heidelberger Platz) to the Fritz Haber Institute (station Freie Universität). Main meals will not be provided at the meeting; however, there will be refreshments during session breaks.
Content and Technical Programme
The Workshop will include morning sessions with invited talks and afternoon sessions for the KMC fundamentals lectures and hands-on sessions. The following invited speakers have agreed to present at the Workshop:
- Sebastian Matera (Fritz Haber Institute)
- Franklin Goldsmith (Brown University)
- Felix Studt (Karlsruhe Institute of Technology)
- Mie Andersen (Aarhus University)
- Ivo Filot (Eindhoven University of Technology)
- Henrik Grönbeck (Chalmers University of Technology)
- Hannes Jónsson (University of Iceland)
- Karoliina Honkala (University of Jyväskylä)
- Franziska Heß (Technische Universität Berlin)
Below you can find the tentative programme of the event (please note that this may be subject to updates).
|
Day 1 Monday, May 8 |
Day 2 Tuesday, May 9 |
Day 3 Wednesday, May 10 |
9.30-10 |
Registration / welcome |
Invited Speaker 3 Karoliina Honkala |
Invited Speaker 6 Henrik Grönbeck |
10-10.30 |
Invited Speaker 1 Hannes Jónsson |
Invited Speaker 4 Sebastian Matera |
Invited Speaker 7 Franklin Goldsmith |
10.30-11 |
Invited Speaker 2 Franziska Heß |
Invited Speaker 5 Mie Andersen (ONLINE) |
Break |
11-11.30 |
Break |
Break |
Invited Speaker 8 Felix Studt |
11.30-12 |
Lecture 1: statistical mechanics Romain Réocreux |
Lecture 3: lateral interactions Hector Prats |
Invited Speaker 9 Ivo Filot |
12-12.30 |
Lecture 2: the KMC method Raz L. Benson |
Lecture 3: lateral interactions Hector Prats |
Lunch |
12.30-13 |
Lunch |
Lunch |
Lunch |
13-13.30 |
Lunch |
Lunch |
Lunch |
13.30-14 |
Lunch |
Lunch |
Lecture 4: stiffness Michail Stamatakis |
14-14.30 |
Tutorial 1: the ZGB model Weitian Li |
Tutorial 2: lattices Raz L. Benson and Romain Réocreux |
Tutorial 3: the WGSR Hector Prats |
14.30-15 |
Tutorial 1: the ZGB model Weitian Li |
Tutorial 2: lateral interactions Raz L. Benson and Romain Réocreux |
Tutorial 3: the WGSR Hector Prats |
15-15.30 |
Tutorial 1: the ZGB model Weitian Li |
Tutorial 2: lateral interactions Raz L. Benson and Romain Réocreux |
Tutorial 3: the WGSR Hector Prats |
15.30-16 |
Break |
Break |
Break |
16-16.30 |
Internal Speaker 1 Hector Prats |
Internal speaker 2 Romain Réocreux |
Internal speaker 3 Raz L. Benson |
16.30-17 |
Poster session / Q&A |
Poster session / Q&A |
Poster session / Q&A |
17-17.30 |
Poster session / Q&A |
Poster session / Q&A |
Poster session / Q&A |
Registration Process and Contact Information
Registration to the Workshop is a two-step process:
- Interested participants must first log in to the Zacros website (or register if they don't have an account). Please use your full name (first and last name) in the "Name" field when registering, and state your affiliation and optionally your position (e.g. PhD Student, Associate Professor, etc.).
- A registered participant can then confirm their attendance in the form that will become available at the bottom of this page.
There is no registration fee for this Workshop, but there is a cap of 30 participants (not counting the invited speakers), to allow for effective delivery and interactions between delegates. There will be a waiting list of 5 places, to accommodate interested participants in case of attendance cancellations.
For effective communication, please make sure that the email address
We hope to see you at the Fritz Haber Institute this Spring.
Please note that the event is now fully booked; therefore, no new registrations will be accepted by the system. However, if you have previously registered, you can use the form below to update your attendance. If you are on the waiting list, a place will be reserved for you automatically in the event of a cancellation of a registered participant's attendance.