Led by:
Led by:
Welcome to our website!
Welcome to the Computational Catalysis and Energy Materials Website!
Prof. Max García-Melchor
Associate Prof. Max García-Melchor
Welcome to the CCEM group!
Led by:
Assist. Prof.
Max García-Melchor
γ-Agostic Interactions in (MesCCC)Fe-Mes(L) Complexes
γ-Agostic Interactions in (MesCCC)Fe-Mes(L) Complexes
γ-Agostic Interactions in (MesCCC)Fe-Mes(L) Complexes
Najera, D. C.; Peñas-Defrutos, M. N.; *García-Melchor, M.; *Fout , A. R. 2022, Chem. Commun. DOI: 10.1039/D2CC03260K
Check out our latest paper published in Chem. Commun.!
Check out our latest paper in collaboration with Prof. Fout's group published in Chem. Commun.!
Check out our latest paper in collaboration with Prof. Fout's group published in Chem. Commun.!
Check Max's Activity Article with Prof. Huabin Zhang (KAUST) published in Chem Catalysis!
Rational design of water oxidation
catalysts informed by comp.
and exp. investigations
Check Max's Activity Article with Prof. Huabin Zhang (KAUST) published in Chem Catalysis!
Rational design of water oxidation
catalysts informed by comp.
and exp. investigations
We are actively involved in the M.Sc. in Energy Science offered at Trinity College Dublin.
Interrogating the oxygen
evolution reaction
mechanism at the
atomic scale
We are actively involved in the M.Sc. in Energy Science offered at Trinity College Dublin.
Prof. Max García-Melchor
We are actively involved in the M.Sc. in Energy Science offered at Trinity College Dublin.
Prof. Huabin Zhang
Reaction descriptors for the oxygen evolution reaction: Recent advances, challenges and opportunities
Craig, M. J.; García-Melchor, M. Curr. Opin. Electrochem. 2022, 101044
Check out our latest paper published in Curr. Opin. Electrochem. !
Check out our latest paper published in Curr. Opin. Electrochem. !
Check out our latest paper published in Curr. Opin. Electrochem. !
Secondary Coordination Sphere Influences the Formation of Fe(III)-O or Fe(III)-OH in Nitrite Reduction: A Synthetic and Computational Study
Park, Y. J.; Peñas-DeFrutos, N. M.; Drummond, M. J.; Gordon, Z.; Kelly, O. R.; Garvey,I. J.; Gullett, K. L.; García-Melchor, M.; Fout, A. R.; Inorg. Chem. 2022, 61, 8182–8192
Check out our latest collaboration with Prof. Fout's group in Inorganic Chemistry !
Check out our latest collaboration with the group of Prof. Fout in Inorganic Chemistry !
Check out our latest collaboration with the group of Prof. Fout in Inorganic Chemistry!
We are actively involved in the M.Sc. in Energy Science offered at Trinity College Dublin.
The CCEM Group is actively involved in the international taught M.Sc. in Energy Science offered at Trinity College Dublin.
We are actively involved in the international M.Sc. in Energy Science offered at Trinity College Dublin.
This summer we have the privilege of welcoming not one, but two PhD students to the CCEM group! Cian and Felix will be working with us over the summer as Research Assistants, and in September they will officially start as PhD students. C...
For us academics, the summer is an important time to fully commit ourselves to research and building collaborations across the scientific community. In the spirit of this, Max has been granted a Visiting Professorship to work at the King...
The CCEM group has hosted several visiting PhD, MSC and undergraduate students over the past 5 years, but we’ve never sent any of our members abroad. As of 2022 however, that’s all changed! Both Michael and Kevin have gone abroad to ...
That’s right! We’ve recently been awarded a grant from the Science Foundation Ireland (SFI) for half a million euro, to research and overcome some of the major obstacles to large scale hydrogen production. In particular, we aim to de...
The CCEM group has room for more people! We have PhD positions available for two enthusiastic and hard working people. These PhD students will perform exciting and cutting edge research in the field of green hydrogen production as part o...
It’s that time of year again where someone new joins our research group! Since 2017, the CCEM group has been steadily growing. As of then, we have had 6 full time positions and many undergraduate, masters and visiting PhD students. This ...
The CCEM group has grown so quickly since 2017 when Eric joined. He was followed a year later by Michael, and then by Arantxa and Kevin in 2019. This September, we are delighted to announce and welcome Anna Ciotti as a new PhD student! A...
We have some fantastic news to share with you! Our very own Professor Max Garcia Melchor has recently been awarded the Best Young Scientist Award by the Organometallic Chemistry Group of the Spanish Royal Society of Chemistry! This prest...
As summer comes full swing into Ireland, the CCEM group doesn’t stop growing, and this summer will see the group at its largest yet! We are delighted to announce and welcome Panagiotis Mallis, Manting Mu, and Oscar Kelly to the group. ...
The CCEM has been growing faster and faster with each academic year. In 2017, Eric joined the group as the first PhD student, to work on heterogeneous catalysts for sustainable energy applications. A year later, Michael also joined us to...
Super cool @TCD_Chemistry seminar today by Prof. Bob Baker on actinide chemistry, a lot learnt from the ‘wiggly lines’ in EXAFS! @TCD_Energy
Super cool @TCD_Chemistry seminar today by Prof. Bob Baker on actinide chemistry, a lot learnt from the ‘wiggly lines’ in EXAFS! @TCD_Energy
Welcome! First day in the office for our newest PhD student @TimoSommer_ 👏🥳👏Timo's research will revolve around the accelerated design of hybrid materials for green hydrogen production by combining DFT methods and ML! Very excit...
Some photos from the @ICCC_2022 conference! Thank you to all the organisers for this very nice conference! We had a great time there #Rimini!👏👏👏
@CompChemGuelph @MGarcia_Melchor Thanks for the photo!!
Learning about molecular and hybrid OER electrocatalysts from @MGarcia_Melchor #cat70norskov
This week our mentor @MGarcia_Melchor is attending the Catalysis and Modelling Symposium to celebrate Jens K. Nørskov’s 70th birthday!! #cat70norskovtwitter.com/MGarcia_Melcho…
