Generated by All in One SEO v5.0.0.1, this is an llms.txt file, used by LLMs to index the site. # CCEM Group Computational Catalysis & Energy Materials ## Sitemaps - [XML Sitemap](https://ccem-group.com/sitemap.xml): Contains all public & indexable URLs for this website. ## Posts - [News](https://ccem-group.com/news_2/) - [Felix and Cian join the CCEM Team!](https://ccem-group.com/felix-and-cian-join-the-ccem-team/) - 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. Cian has recently finished his undergraduate degree in Chemistry with Molecular Modelling here - [Building Connections in KAUST!](https://ccem-group.com/building-connections-in-kaust/) - 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 Abdullah University of Science and Technology (KAUST) in Saudi Arabia this summer! Max will be conducting - [The CCEM Group has been awarded an SFI grant!](https://ccem-group.com/the-ccem-group-has-been-awarded-an-sfi-grant/) - 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 design economically feasible catalysts that are both efficient and sustainable for the oxygen evolution reaction (OER). This - [The New Year and Internships!](https://ccem-group.com/the-new-year-and-internships/) - 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 do their own separate internships. Kevin recently visited the University of Iceland to study - [We have Open Positions available!](https://ccem-group.com/we-have-open-positions-available/) - 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 of the CCEM group in Trinity College Dublin. This research will have a focus on the - [Welcome Manting to the CCEM Group!](https://ccem-group.com/welcome-manting-to-the-ccem-group/) - 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 year we are thrilled to announce that Manting Mu has now joined us as - [Anna joins the CCEM Group!](https://ccem-group.com/anna-joins-the-ccem-group/) - 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! Anna will be working on the rational design of electrocatalytic materials - [Max Receives GEQO Best Young Scientist Award!](https://ccem-group.com/max-awarded-best-young-scientist/) - 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 prestigious award is one of three that the GEQO award every year. This award targets young researchers - [Welcome Panagiotis, Manting and Oscar!](https://ccem-group.com/welcome-panagiotis-manting-and-oscar/) - 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. Panagiotis, currently a student in Trinity College Dublin’s MSc in Energy Science, has joined - [We have a new Postdoc at CCEM!](https://ccem-group.com/we-have-a-new-postdoc-at-ccem/) - Last year, we had the privilege of hosting Arantxa, an amazing visiting PhD student for 6 months. She did an incredible job at the CCEM Group, and her personality and hard work did not went unnoticed. Because of this, we are immensely happy that Arantxa was awarded an EDGE–Marie Skłodowska-Curie Cofund Postdoctoral Fellowship hosted in - [Michael Craig awarded IRC PhD Scholarship](https://ccem-group.com/michael-craig-awarded-irc-phd-scholarship/) - After doing an amazing job in his first year as a PhD student in the CCEM Group, Michael Craig was awarded a prestigious IRC PhD Scholarship to continue his PhD with us! This award is targeted to excellent researchers in multiple disciplines, providing outstanding students with the opportunity to direct their own research at the - [Kevin becomes a new PhD student at the CCEM Group!](https://ccem-group.com/kevin-becomes-a-new-phd-student-at-the-ccem-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 carry out breathtaking studies on machine learning for the discovery of new and amazing catalysts. - [CCEM is going to the XXXVII Biennial Meeting of the Spanish Royal Society of Chemistry](https://ccem-group.com/ccem-is-going-to-the-xxxvii-biennial-meeting-of-the-spanish-royal-society-of-chemistry/) - With around 1,000 participants in the last editions, the Biennial Meeting of Chemistry has become an essential event for the Spanish chemistry community because, in addition to disseminating the most relevant results of the chemical research carried out in this country, it also gives the opportunity to interact with a large number of internationally renowned - [Outreach at CCEM: Showcasing Computational Modelling at PROBE](https://ccem-group.com/outreach-at-ccem-showcasing-computational-modelling-at-probe/) - This week, the CCEM Group has had the opportunity of disseminating the wonders of Computational Modelling to the general public in the Trinity PROBE, as part of a series of workshops carried out by the most amazing research groups in our college. With the help of Max, Arantxa and Eric, we revealed the molecular shape - [Our latest collaboration with the SUNCAT Center (Stanford) has been published in ACS Applied Energy Materials](https://ccem-group.com/our-newest-collaboration-with-the-suncat-center-stanford-has-been-accepted-to-acs-applied-energy-materials/) - Our paper, Copper Silver Thin Films with Metastable Miscibility for Oxygen Reduction Electrocatalysis in Alkaline Electrolytes, has just been published in the journal ACS Applied Energy Materials. It has been a pleasure to work with our collaborators at Stanford once again! You can find the abstract of the paper below. - [Welcome to CCEM Group, Romain!](https://ccem-group.com/welcome-to-ccem-romain/) - Today we welcome to our group Romain Barda-Chatain, a 2nd year student from the Université Toulouse-III-Paul-Sabatier. He has joined the group for a 3-month Erasmus internship and he will be working on applying DFT methods to rationally design novel molecular OER catalysts based on Earth-abundant elements. We hope you learn a lot of things with - [We welcome to our group Pablo Gómez-Orellana!](https://ccem-group.com/welcome-to-our-new-group-member-pablo/) - Today we welcome a new member to the group, Pablo Gómez-Orellana. Pablo is a 3rd year PhD student from the Universitat Autònoma de Barcelona working under the supervision of Prof. Gregori Ujaque and Prof. Agustí Lledós. His doctorate research focuses on the computational modelling of hydroamination reactions catalysed by transition metal complexes. In addition to - [We welcome Kevin Brennan and Geoffrey Keating to our group!](https://ccem-group.com/we-welcome-kevin-brennan-and-geoffrey-keating-to-our-group/) - As the blazing sun comes down to Ireland, our group does not stop to grow and this summer we will be at full capacity after the arrival of Geoffrey Keating and Kevin Brennan, two Trinity undergraduate students from Nanoscience, Physics & Chemistry of Advanced Materials (NPCAM) and Chemistry with Molecular Modelling (CMM), respectively. Geoffrey and - [We welcome to our group Arantxa Davó!](https://ccem-group.com/we-welcome-to-our-group-arantxa-davo/) - Following the ever-growing trend of our group, we welcome Arantxa Davó, a visiting 3rd-year PhD student from the group of Prof. Agustín Bueno and Prof. Dolores Lozano (U. Alicante). Her research focuses on developing catalysts for sustainable energy and environmental protection. She has joined our group to complement her experimental research on preferential oxidation of CO - [The new CCEM website is up and running!](https://ccem-group.com/the-new-ccem-website-is-up-and-running/) - Welcome to our new website! We have put our hearts and souls to create it so we hope you love it as much as we do. If you click on the menu (three lines on the top left of every page), you will find all the pages we have included in this website: - Home: - [Our group has been awarded with a Provost's PhD Project Award!](https://ccem-group.com/we-have-been-awarded-with-a-provosts-phd-award/) - Trinity College Dublin has launched this year 40 fully funded PhD positions across a wide variety of disciplines. The 40 Provost’s PhD Project Awards are open to both EU and non-EU candidates and include an annual stipend of €16,000 for four years. These doctoral awards are generously funded through alumni donations and the Trinity’s - [Unveiled the new Super-Computing facility from ICHEC](https://ccem-group.com/unveiled-the-new-super-computing-facility-from-ichec/) - Ireland is set to install a new national supercomputer to support research and innovation in 2018 through ICHEC at NUI Galway, with funding of €5.4 million from Science Foundation Ireland. The new system will provide Irish researchers with the high-performance computing power to address some of the toughest challenges in science and society such as ## Pages - [Front Page](https://ccem-group.com/) - [Publications](https://ccem-group.com/publications/) - Publications Citations per year Research Articles 2026 View Article 99. Practical strategies for modelling potential-dependent electrochemical reactions Brennan-Pollak, C.; *García-Melchor, M. Curr. Opin. Electrochem. 2026, 59, 101900 View Article 98. Halide electrolyte effects in the electrochemical hydrogenation of ketones on copper Solera-Rojas, J.; Fenoll, D. A.; Segura-Sanchis, E.; Barrantes, M. C.; - [Prof. Max García-Melchor](https://ccem-group.com/garcia-melchor/) - Dr. Max García-Melchor Ikerbasque Research Professor Bibliography Max García-Melchor received his BSc in Chemistry and MSc in Theoretical Chemistry from the Universitat Autònoma de Barcelona. Under the supervision of Prof. Agustí Lledós and Prof.Gregori Ujaque, his Master's (2008) and PhD (2012) research focused on applying computational methods to unravel the reaction mechanisms of Pd-catalyzed C–C - [Research](https://ccem-group.com/research/) - Research Areas In our group we currently conduct state-of-the-art computational research in four main areas (see below). Most of this research is carried out in close collaboration with leading experimental groups in the field and from worldwide academic institutions. Whenever possible, we try to guide the design of novel catalysts with an enhanced performance and - [Open Positions](https://ccem-group.com/open-positions/) - Open Positions 1 Postdoctoral Position Available Deadline: Position open until filled Start Date: March 2024 (or shortly after) We have one postdoctoral position available to join our group to work on the accelerated discovery of electrocatalysts for the water oxidation reaction. This position is initially for 1 year with the possibility to extend - [Group Pictures](https://ccem-group.com/group-pictures/) - Group Pictures Gallery 2023 Conferences ... Birthdays ... Outreach ... Group Activities ... 2022 Conferences ... Birthdays ... Outreach ... Group Activities ... 2021 2020 2019 2018 2017 - [Outreach](https://ccem-group.com/outreach/) - Outreach Our research group is actively involved in outreach activities to disseminate cutting edge discoveries to a wider audience. In addition, we host transition year (TY) internships to provide secondary school students an interesting and fun experience in how it's like working as a researcher. The complete timeline of our past and future outreach activities - [Group Members](https://ccem-group.com/group-members/) - Current Members Former Members - [Collaborations](https://ccem-group.com/collaborations/) - Research Collaborations Our research group is always very keen to collaborate with leading experimental and theoretical groups. In the World map below you can see some of our main collaborators in each continent. The complete list our collaborators is shown right after the map. Research Collaborators in the Republic of Ireland and - [Facilities](https://ccem-group.com/facilities/) - Facilities Our group has access to cutting-edge super-computing facilities to do our calculations. - [News](https://ccem-group.com/news/) - Latest News - [news2](https://ccem-group.com/news2/) - [eage](https://ccem-group.com/eage/) - [Portfolio](https://ccem-group.com/portfolio/) - [Shortcodes](https://ccem-group.com/shortcodes/) - The CPO Core comes with plenty of useful shortcodes giving you a lot of options when creating content for your site. The following are present in all of our themes, provided you have the latest version of the Core: Buttons Accordions Message Boxes Tabbed Content Features Content Styling Columns You can distribute content as you - [Contact](https://ccem-group.com/contact/) - The theme integrates with Contact Form 7 so you can seamlessly create contact forms in any of your pages. Lorem ipsum dolor sit amet, consetetur sadipscing elitr, sed diam nonumy eirmod tempor invidunt ut labore et dolore magna aliquyam erat, sed diam voluptua. At vero eos et accusam et justo duo dolores et ea rebum. ## Portfolio - [Hong Kong](https://ccem-group.com/portfolio-item/hong-kong/) - Lorem ipsum dolor sit amet, consectetur adipiscing elit. Sed ac est nunc. - [Curabitur pharetra](https://ccem-group.com/portfolio-item/lake-in-the-forest/) - Lorem ipsum dolor sit amet, consectetur adipiscing elit. Sed ac est nunc. - [Kuala Lumpur](https://ccem-group.com/portfolio-item/son/) - Lorem ipsum dolor sit amet, consectetur adipiscing elit. Sed ac est nunc. - [Beach](https://ccem-group.com/portfolio-item/old-ship/) - Lorem ipsum dolor sit amet, consectetur adipiscing elit. Sed ac est nunc. - [HDR Gallery](https://ccem-group.com/portfolio-item/hdr-gallery/) - Lorem ipsum dolor sit amet, consectetur adipiscing elit. Sed ac est nunc. - [Portfolio Slideshow](https://ccem-group.com/portfolio-item/loughtay/) - This is a small description of the portfolio item, viewed from the main portfolio. - [Autumn Field](https://ccem-group.com/portfolio-item/chinese-pond/) - Lorem ipsum dolor sit amet, consectetur adipiscing elit. Sed ac est nunc. ## Services - [Premium Consulting](https://ccem-group.com/service/premium-consulting/) - Lorem ipsum dolor sit amet, consetetur sadipscing elitr, sed diam nonumy eirmod tempor invidunt ut labore et dolore magna aliquyam erat, sed diam voluptua. - [Web Development](https://ccem-group.com/service/web-development/) - Lorem ipsum dolor sit amet, consetetur sadipscing elitr, sed diam nonumy eirmod tempor invidunt ut labore et dolore magna aliquyam erat, sed diam voluptua. - [Performance Auditing](https://ccem-group.com/service/performance-auditing/) - Lorem ipsum dolor sit amet, consetetur sadipscing elitr, sed diam nonumy eirmod tempor invidunt ut labore et dolore magna aliquyam erat, sed diam voluptua. ## Team Members - [Lisa Ann](https://ccem-group.com/cpo_team/lisa-ann/) - Lorem ipsum dolor sit amet, consetetur sadipscing elitr, sed diam nonumy eirmod. - [Mark Atkinson](https://ccem-group.com/cpo_team/mark-atkinson/) - Lorem ipsum dolor sit amet, consetetur sadipscing elitr, sed diam nonumy eirmod. - [Allison Edwards](https://ccem-group.com/cpo_team/allison-edwards/) - Lorem ipsum dolor sit amet, consetetur sadipscing elitr, sed diam nonumy eirmod. - [John Doe](https://ccem-group.com/cpo_team/john-doe/) - Lorem ipsum dolor sit amet, consetetur sadipscing elitr, sed diam nonumy eirmod. ## Timeline Stories - [HPC-cup workshop visiting Firhouse Community College](https://ccem-group.com/cool_timeline/hpc-cup-workshop-visiting-firhouse-community-college/) - The CCEMs had lots of fun running the "HPC-cup" workshop and presenting our research to the 2nd year students in Firhouse Community College. With amazing presentations from PhDs (Cian, Timo, Anna and Martin), inspiring discussions with the students and cool crafts! - [CCEMs are at Trinity PROBE 2019!](https://ccem-group.com/cool_timeline/ccems-are-at-prob/) - We had so much fun today at the Trinity Probe, a free public pop-up festival to showcase the diverse range of academic research carried out in Dublin. Thank you to Science Gallery Dublin and Trinity College Dublin for putting together such a successful event! We’re also very grateful to all the people that visited - [Crotcheted chemicals!](https://ccem-group.com/cool_timeline/crotcheted-chemicals/) - Below you can see the hand crotchet chemical complex by Manting. Like the wool which forms a network and make up the final crocheted piece, chemical systems are made up of atoms and fragments and each plays a role in determining their chemical properties. What chemicals would you like to crotchet? Below is - [Illustration by our CCEM member Manting Mu!](https://ccem-group.com/cool_timeline/illustration-by-ccem-members/) - In this illustration, Manting has nicely captured our ongoing efforts in the development of machine learning algorithms to speed up the discovery of low-cost and highly efficient materials to promote water oxidation to sustainably produce green H2 as a fuel. To achieve this computational methods and supercomputers are undeniably important! How would you image a - [Illustration by Emma Melchor](https://ccem-group.com/cool_timeline/illustration-by-emma/) - With the new academic course around the corner, we are super excited to announce that we are developing a new outreach section on our website in collaboration with Emma Melchor Illustration to bring computational chemistry to the public! Thanks Emma for the lovely illustration! Go girl power, we promote all equality in the CCEM - [TY activities as part of bridge 21 sessions](https://ccem-group.com/cool_timeline/school-visits-parts-of-bridge-21-sessions/) - Our group member Manting Mu volunteered as mentor for the Bridge to College programme as part of Trinity Access Program (TAP). Manting had lots of fun in helping secondary students with mini projects about 'what technologies would there be in the future', to create a website and video advertisement, and many more! Thanks to Kate - [Eoghan joined us for a one-week TY internship!](https://ccem-group.com/cool_timeline/test2/) - This week we had Eoghan, an enthusiastic and intelligent young individual, joining us for a TY internship. During this period, Eoghan learnt how our group applies molecular modelling to discover new materials for the production of green hydrogen from water. He also participated in setting up our new group server ‘CCEM’, thanks Eoghan! - [Olivia was here for TY internship!](https://ccem-group.com/cool_timeline/2022-aug-test1/) - This week we had Olivia as a TY intern in our group. She was very enthusiastic about coding and their applications in chemistry.👩‍💻🧪We are delighted to spread our research and offer such opportunities to young people!😄 In the photo below we have our Kev (PhD) showing Olivia a simulation of an 'ice-water layer' to - [More to come soon in Nov 2022!](https://ccem-group.com/cool_timeline/more-to-come-soon-in-nov-2022/) - ... ... ## Categories - [General](https://ccem-group.com/category/general/) - [Publications](https://ccem-group.com/category/publications/) - [Conferences](https://ccem-group.com/category/conferences/) - [Ireland](https://ccem-group.com/category/ireland/) - [Super-Computing](https://ccem-group.com/category/super-computing/) - [Miscellaneous](https://ccem-group.com/category/miscellaneous/) - [Group Activities](https://ccem-group.com/category/group-activities/) - [Group Members](https://ccem-group.com/category/group-members/) ## Portfolio Categories - [Landscapes](https://ccem-group.com/portfolio-category/landscapes/) - [People](https://ccem-group.com/portfolio-category/people/) - [Places](https://ccem-group.com/portfolio-category/places/)