24.11. We look forward to welcoming Prof. Gábor Csányi (Cambridge University) as an August-Wilhelm-Scheer Visiting Professor next year!

11.10. And an Angewandte for Hannes. Awesome!

10.10. Mitch and our friends from E20 make it into ACS Nano. Fantastic job for the Holmium lovers...

01.10. We spend a fantastic week at our group retreat in Sperlonga, Italy.

01.10. A warm welcome to our new PhD student Wenbin Xu

27.09. We are proud to announce the approval of the DFG excellence cluster e-conversion. €€€€ :-)

24.09. The group goes Wiesn! Ein Prosit der Gemütlichkeit...

19.09. Welcome to Prof. Vasilios Melissas. We hope you will enjoy your sabbatical stay with us!

01.09. A warm welcome to our newest member of the team, Dr. Haobo Li.

26.07. Our latest doctor: A bit disordered, but simply great: Dr. Hendrik Heenen. Congratulations!

09.07. We proudly host the FHI-aims Users & Developers Workshop. Welcome to our colleagues!

27.06. Marvin Lechner receives a Manchot Study Award for his outstanding MSc studies. Congratulations!

01.06. They never really left, welcome Sina Stocker and Simon Wengert as PhD students.

19.04. We're part of the new German Priority Program on "Catalysts and Reactors for Energy Storage and Conversion under Dynamic Operation Conditions". $$$

15.03. Mie wins the Gerhard Ertl Young Investigator Award 2018. Epic!

08.03. Yonghyuk obtains a DAAD fellowship. Congratulations!

01.03. Back again as PhD student, welcome to Martin Deimel.

01.03. Craig convinces Lercher and makes it into JACS. Strike!

21.02. May we introduce: Dr. Markus Sinstein! Congratulations!

02.02. The amazing Province of Latina will host our upcoming group workshop.

01.02. Welcome back to Jakob Filser, now as our new PhD student!

26.01. Karsten receives the Frontiers in Chemical Energy Science Award 2018.

18.01. And our first doctor of 2018: Dr. Zhu Liu! Well done!


19.12. Introducing our latest Dr.: Congratulations to Dr. Juan Manuel Lorenzi!

15.12. We look forward to welcoming Prof. Noa Marom as an August-Wilhelm Scheer Visiting Professor in 2018!

30.11. Welcome to our new PhD student: Santiago Cingolani!

12.11. Babies galore! Welcome to the PhD class of 2045: Nirina and Leo!

11.11. Tune in for the upcoming Workshop on Molecular Approaches to Heterogeneous Catalysis and Electrocatalysts...

24.10. Another excellent Dr. in the house: summa cum laude for Dr. Simon Rittmeyer!

19.10. ...and the next prize goes to: Harald! Recipient of the Ernst-Haage-Prize 2017. Congratulations!

28.09. Daniel's PRACE proposal is accepted: 25 MCPUh! Happy crunching!

27.09 Check out the gallery of the Oktoberfest outing.

19.09. Simon breaks the record: The third first-author PRL within one thesis. Wow!

15.09 A new PhD student has arrived - welcome to Yonghyuk Lee!

06.09 What a good-bye to Science: Lydia makes a final Angewandte together with our friends from Inorganic Chemistry. Congratulations and a good start in Industry!

31.07 PD (!) Dr. Harald Oberhofer is the recipient of the 2017 Hans-Fischer-Memorial Award. Congratulations!

21.07 Check out the pics from our group retreat in Heiligenhafen.

10.06 A big welcome to our newest member in the group, Albert Bruix!

09.06: Harald's Opus is accepted. Read it in Chem. Rev. soon!

02.06: Jakob receives a PhD stipend from the German Federal Environmental Foundation (Deutsche Bundesstiftung Umwelt). Congratulations!

01.06 A big welcome back to Cristina Grosu - now as a PhD student!

24.05 We look forward to welcoming Prof. Patrick Rinke (Aalto University) as a August-Wilhelm Scheer Visiting Professor this summer!

17.05 Next strike for the battery team: Nano Letters for Hendrik!

10.05 And the next excellent PhD in the house: Dr. Stefan Ringe!

26.04 The next paper for the Stanford axis: Saskia makes it into Chem. Mater.

16.04 ACS Catal. for Mie and our friends from Stanford. Congratulations!

01.04 And another new member to our group, welcome to Johannes Margraf!

10.03 The "Solar Technology Goes Hybrid" Initiative will be extended. $$$$

01.03 A big welcome to our new group members: Simiam Ghan, Christian Kunkel, and Mattia Peluchetti! And welcome back Jakob!

31.01 Read our perspective on active site models in computational catalyst screening! 

24.01 Our screening activities identified an excellent new doctor: Dr. Christoph Schober. Congratulations!

03.01 Big triumph for our MOF lady: Lydia makes it into Adv. Mat.! (BTW: accepted paper #3 of the year. Cake galore!)


20/12: We have a new Doctor, and with distinction: Dr. Vanessa J. Bukas!

6/12: Hohoho! The merry theorists rock their Xmas party once again! Meeerry Christmas & a happy New Year!

24/11: Another one for our new house journal: Phys. Rev. Lett. for Thomas and Harald. Splendid!

23/11: Welcome to our new PhD student, Ahmad Agung!

29/10: Karsten receives the "Best PhD Supervisor" Award from the German Society of Chinese Chemists and Chemical Engineers.

19/10: Beating the 3% acceptance ratio: We're part of the EU-funded project LMCat! $$$$

12/10: Frictionless into Phys. Rev. Lett.! A great one for Simon, Patrick and our friends from Cambridge!

04/10: And the next J. Phys. Chem. Lett.! Daniel and Harald embed our friends in Mülheim. Well done!

03/10: A big welcome to our newest group member Daniel Opalka!

26/09: The group goes Wiesn

24/09: With high mobility into J. Phys. Chem. Lett. - Congratulations to Christoph and Harald!

19/09: A big welcome to our newest visitor, Prof. Natália Cordeiro from the University of Porto!

14/09: Another great international food evening at... Karsten's cantina! 

10/09: Late Chem. Phys. Lett. for Berna and Julian. No more headaches!

02/09: Vanessa diffuses into Phys. Rev. Lett. Congratulations!

01/09: A big welcome back to our group Patrick Gütlein and Christoph Muschielok, now as PhD students!

22/07: FHI-aims developer's & users meeting held at the new TUM.Computational! See the pics!

05/07: Juan and Sebastian make it into ACS Catalysis. Enhorabuena!

04/07: Lucas Lang will receive a Manchot Award for his outstanding study performance. Well done!

24/06: Dr. Reinhard Maurer (aka Reini) wins the PWC Strategy& Presidential Award 2016. Congratulations!

23/06: Congratulations to Berna for successfully defending her PhD today!! 

20/06: Check out now pictures from our group Workshop on Monte Isola!

30/04: Simone receives a "Communicator Award" from the Jülich HITEC graduate school. Congratulations! 

27/04: 4 MCPUh approved for Mie on Jülich's JURECA Supercomputer. Sweet. 

19/04: We look forward to having Prof. Tejs Vegge as August-Wilhelm-Scheer Visiting Professor with us in Winter 2016! 

18/04: Strike! DFG proposal for Chiara! Congratulations!! 

09/04: JCP Communication for Martin, Mitch and our friends at Yale. Strong collaboration on weak interactions! 

05/04: We are part of the Power-to-X consortium which receives funding within the BMBF Kopernikus initiative. 

01/04: Harald's project makes it into the new DFG priority program "Coordination Networks: Building Blocks for Functional Systems". 

31/03: 33 MCPUh approved on Super-MUC. Let's crunch some numbers... 

10/03: Phys. Rev. Lett. for Reini, Thomas and Harald. Free energy rules! 

09/03: We look forward to having Prof. Jochen Blumberger as a Hans Fischer Fellow with us. 

03/03: Late Angewandte for Daniel and Jelena. Congratulations! 

02/03: The curse is broken! DFG funding for Harald. Awesome! 

26/02: Angewandte for Mie and our friends from Stanford. Congratulations! 

01/02: And of course not forgetting to also welcome back Markus Schuderer! Another PhD student for the battery team! 

01/02: New members in our group from February 2016! Welcome MSc students Jonas Peschina & Kim Jessica Novacek! And of course, welcome back to Matthias Kick - now as a PhD student! 

29/01: And the next Nano Letters: Congratulations to Martin, Kathi and Reini! 

12/01: Moritz, Reini and Kathi make it to the JCP cover page. Yeah! 

04/01: First accepted paper of the year. Congratulations, Craig - and a happy 2016 to all! 


17/12: We look forward to having Prof. Volker Blum and Prof. Vladimir Malkin as a August-Wilhelm-Scheer Visiting Professors with us in Summer 2016. 

04/12: Our battery perspective features as most read article in JPCL. 

26/11: Phys. Rev. Lett. for Mitch, Reini and Kathi: Spinning! 

15/11: Read the Stanford perspective on batteries. Go Cardinals! 29/10: A new Dr: Tongyu successfully defended her PhD today! Congratulations!! 

07/10: The gang is IN: Congrats to Chiara, Konsti, Dennis and Reini for a great Nano Letters! 

01/10: A big welcome to our new post-doc, Dr. Lydia Nemec! 

06/09: We go to the Psi-k 2015 conference in San-Sebastian ¡Fantástico! 

28/08: Chem. Commun. for the old Azo-gang. Congratulations, Reini!! 

02/07: Vanessa talks about her PhD project at the 65th Lindau Nobel Laureate meeting - check it out here!

22/06.: Simon made it into Phys. Rev. Lett.. A little bit of friction with great outcome... Congrats!

17/06: Late ACS Catal. for Max and Sebastian. Congratulations!

01/06: A big hearty welcome to Dr. Craig Plaisance and Christian Hoffmann - new members of our group! 

02/03: Vanessa Bukas and Dr. Chiara Panosetti have been selected to attend the prestigious Lindau Nobel Laureate Meeting. Congratulations!

23/02: DFG proposal granted for Dr. Thomas Stecher! Congratulations!

27/01 - 31/01: A great week for the Chair of Theoretical Chemistry at our Winter Workshop "Frontiers of Multiscale Modelling - Current Obstacles and New Horizons for Energy, Materials, and Catalysis: A Winter Workshop". See our pictures now!

26/01: Congratulations to Daniel Berger for successfully defending his PhD today!

05/01: We will have the pleasure to host Dr. Matt Probert as a August-Wilhelm Scheer Visiting Professor in Summer 2015. 




30/12: Last paper of the year: Max' multi-lattice kMC will feature in ACS Catalysis. Congratulations!

10/12: Once again this year, a terrific Xmas party at the chair of Theoretical Chemistry: cheese fondue, chinese hot pot, cocktails, xmas gifts, games & a lot more! A big thanks to our organizing team!

25/11: Dr. Mie Andersen receives a prestigious Alexander von Humboldt fellowship. Congratulations!

29/10: Christoph Scheurer and Friedrich Esch obtain special funding from the Fonds der Chemischen Industrie acknowledging their innovative lab course concept "Measurement Technology, Data Interpretation, and Simulation". Congratulations! 

21/10: No more headaches: Julian's Aspirin work made it into J. Phys. Chem. Lett. Congrats and well deserved!

07/10: Sebastian and Matteo made it into ACS Catalysis. Congratulations!

01/09: Welcome to Dr. Mie Andersen, new member of our group, and welcome back to Georg Michelitsch, now as a PhD student! 

10/08: We look forward to hosting Prof. Dr. Suljo Linic as a new TUM-IAS Hans Fischer Fellow.

24/07: New doctor in the house: Dr. Max Hoffmann. Congratulations!

21/07: Summer bbq with the E20 Physics group 

15/07: To yet another amazing group outing, a day of sailing! Click on the link to see more! 

14/07: Simon Rittmeyer to receive the Manchot Study Award for his excellent MSc studies. Well done and congratulations! 

11/07: A big welcome to our group, Dr. Ary Ferreira!

07/07: Dr. Stefan Huber is to receive a prestigious Alexander von Humboldt fellowship. Congratulations!

1/07: We are very pleased to welcome to our group our new post-doctoral fellow Dr. Stefan Huber

19/05: Welcome to our new MSc student Shubhrajyoti Mitra

21/03: PRL for Jörg and our friends from San Sebastian. Enhorabuena!

20/02: Double strike! Angewandte for Jörg, and Angewandte for Jelena. Congratulations!

27/01: Congratulations to our new doctor, Reinhard Maurer, for successfully defending his PhD thesis today!

01/01: With the new year we welcome three new members to our group of PhD students: Simon Rittmeyer, Markus Sinstein and Simone Köcher, good luck!


05/12: Dr. Katharina Diller official winner of the 2013 Ernst-Eckhard-Koch-Prize: http://www.helmholtz-berlin.de/zentrum/freundeskreis/forschungspreise/eek/innoaktuell_de.html


18/11: Chiara got a prestigious Humboldt fellowship! Congratulations!

5/11: Vanessa beats all records: 25 Mio CPU-h award on SuperMUC within the Gauss Large Scale Computing Call!

5/11: Three new members to our group: Georg MichelitschJuan Manuel Lorenzi, and Thomas Stecher! Welcome!

25/10: Congratulations to Dr. Dennis Palagin, who successfully defended his PhD thesis today!

23/10: Welcome to the new member of our group, Dr. Chiara Panosetti!

10/10: We are proud to co-host Prof. Harald Brune as a TUM-IAS Hans Fischer Fellow in the next years!

04/10: Welcome to our new members: Zhen Yao and Zhu Liu!

30/09: Our group goes Oktoberfest!

14/08: Once again, Young Investigator Competition award for Joerg in the Gordons conference! Congratulations!! 

25/07: Angewandte for Harald's favorite material. Congratulations! BTW, paper 9 in week 9. The series continues...

16/07: Julian's PRACE computing proposal went through! 6.6 Mill. CPU-h... Crunch galore!

15/07: Check out pictures from our sailing day trip at Ammersee!

11/07: Just for the record: 7 papers accepted within 7 weeks. Cake-mania!

11/07: Angewandte for Tugba, Reini and our friends from Kiel. Steamin...

28/06: Katharina Diller, welcome now as a post-doc!

03/06: Stefan Ringe has started his PhD. Welcome!

02/04: We welcome Christoph Schober to the group!

12/03: Farnaz obtained a prestigious Humboldt Fellowship. Congratulations!

04/03: After 2011, Jörg made it again into the annual highlights selection of New Journal of Physics. Congratulations! 

21/02: Simon got a PROMOS stipend to do parts of his MSc thesis work in San Sebastian. Enhorabuena!

04/02: And the beat goes on: PRL for Max, Sebastian and our Swedish friends! Strike!

01/02: Sebastian's DFG proposal to develop an ab initio approach to in situ studies of model catalysts is approved! $$$

22/01: We made it into ACS Nano. Well done, Dennis!

14/01: We welcome Moritz Müller and Simone Köcher in the group!

06/01: Our joint DFG-NSFC proposal within the call on Conversion of Renewable Energies to Hydrogen is approved! We look forward to working with Zhipan Liu (Fudan University).


18/12: JACS-time again. Congratulations, Jelena!

14/12: Late JACS for Erik. Well deserved and best wishes to Mainz!

11/12: Check out the pictures of our grand Fondue night!

01/11: Vanessa Bukas has finished her masters thesis and starts her PhD. συγχαρητήρια!

31/10: Farnaz Sotoodeh has joined the group. Welcome!

03/10: Take a look at the new pictures from Oktoberfestouting!

02/10: Reini's Angewandte got accepted. Congrats!

01/10: It is Berna Dogans first day with us. Hoşgeldiniz!

01/09: Saskia Stegmaier has joined the team. Welcome!

16/08: Our review on kinetic modeling in catalysis has been selected as a hot article in Catalysis Science and Technology and is free to read...

14/08: Have a look at some pictures from our outing to Ammersee.

19/06: Check out the new TUM M.Sc. Chemistry degree with focus on theory!

16/04: We have 4 new members! Julian Schneider, Benedikt Brandes, Bastian Burger and Johanna Obst. Welcome!

01/04: Vanessa Bukas has joined the group. Welcome!

22/03: Jörg's paper on e-h excitations has been selected into the NJP 2011 highlights

01/03: Ran Jia has joined the group. Welcome in Minga!

16/02: Jörg got his summa... Congratulations, Dr. Meyer!

13/02: Claudia has successfully defended her thesis. Congratulations, Dr. Mangold!

01/02: Chun-Sheng Liu has joined the group. Welcome!

27/01: Our group is visited by highly gifted high school students!


22/12: Merry christmas and a happy new year!

12/12: Simon Rittmeyer has joined the group. Welcome!

16/11: Harald got a Humboldt Fellowship. Congrats!

31/10: Dr. Paula Abufager visits the group. Welcome!

24/10: Take a look at our new Meeting Calendar

17/10: We are moving to our new rooms (slowly...)

04/10: Sebastian Matera joins the group. Welcome!

05/09: Tugba Davran-Candan and Tongyu Wang join the group. Welcome!

11/08: Jörg has won a Best Poster Award of the Young Investigator Competition at the Gordon Research Conference "Dynamics at Surfaces". Congratulations!

25/08: We successfully survived our Group Outing in Aschheim!

09/06: Michael's Phys. Rev. Lett. is accepted. Strike!

26/05: Want to see our ideas for the car of the future?

17/04: Funding for Reini and Jelena. $$$$ :-)

04/04: Matteo and Abrar are joining the team. Welcome!

13-18/03: The group is traveling to the DPG meeting in Dresden!

1/02: Harald Oberhofer joins the Munich team. Welcome Harald!


1/12: Jörg Meyer joins the Munich team. Welcome Jörg!

4/11: Matteo's paper has been accepted in Angewandte, 
Congratulations Matteo!   →   Publication List

15/10: New member of the group Daniel Berger joins on 15.10.2010!

3/10: Group takes up activity in Munich. Welcome everybody!