March 2022: New preprint discussing quantum confinement in CdO and CdS nanostructures is now live on ChemRxiv .
December 2021: New preprint discussing the potential for metal-free hydrogen evolution by heteroatom containing polymers is now live on ChemRxiv .
July 2021: New review on the role of computational chemistry in discovering and understanding organic photocatalysts for renewable fuel synthesis published in Advanced Energy Materials.
March 2021: New paper on a possible mechanism for hydrogen evolution by polymer photocatalysts in the absence and presence of metal co-catalysts published in Sustainable Energy & Fuels.
March 2021: Congratulations to Isabelle Heath-Apostolopoulos on passing her PhD viva during lockdown.
July 2020: We, together with the Jelfs group at Imperial College, wrote a chapter entitled Artificial Intelligence Applied to the Prediction of Organic Materials in the book Machine Learning in Chemistry: The Impact of Artificial Intelligence, published by the Royal Society of Chemistry.
July 2020: Martijn got promoted to Professor of Computational Materials Chemistry.
June 2020: New paper together with the Cooper (Liverpool) and Wang (Fuzhou) groups demonstrating the ability of organic polymers to act as water oxidation photocatalysts published in Angewandte Chemie.
May 2020: New paper together with the Cooper (Liverpool), Nelson (Imperial), Durrant (Imperial) and McCulloch (KAUST) groups on the effect of side-chain tuning on the photocatalytic activity of polymers published in Energy and Environmental Science.
February 2020: Martijn gave talks at the Netherlands Catalysis and Chemistry Conference in the Netherlands and at the Defect Functionalized Sustainable Energy Materials: From Design to Devices Application symposium at TokyoTech, Japan.
December 2019: Martijn gave seminars at the Chemical Engineering department of Delft University of Technology and the Chemistry department of the University of Glasgow.
September 2019: Martijn presented our work with the Cooper group on photocatalytic covalent organic frameworks and covalent triazine frameworks at POPs2019 in Heidelberg, Germany.
September 2019: New review with the Durrant (Imperial College), Cooper (Liverpool) and Tang (UCL Chemical Engineering) groups on the current understanding and challenges of solar-driven hydrogen generation using polymeric photocatalysts published in Nature Energy,
September 2019: We have an open 2-year postdoc position in the group to work on computationally exploring metal-free pathways for hydrogen evolution by polymer photocatalysts, funded by a grant from the Leverhulme Trust (closing date the 12th of September).
July 2019: Martijn gave an invited talk about our group's work on high-throughput screening at a CECAM meeting on Accelerating material discovery by smart high-throughput computations in Liverpool, UK, and a contributed talk on the same subject at the MC14 conference in Birmingham, UK.
May 2019: New paper discussing work with the Cooper group in Liverpool on the computational and experimental high-throughput screening of photocatalytic polymers is now out in the Journal of the American Chemical Society.
April 2019: Martijn presented our work on the exploration of the property landscape of polymers using machine learning at the Materials Research Society spring meeting in Phoenix, USA, while Liam presented the same research at the Computational Molecular Science 2019 meeting in Warwick, UK.
March 2019: Isabelle and Martijn took part in a Faraday Discussion meeting on Artificial Photosynthesis in Cambridge, UK. The proceedings of the discussion have now been published online, together with our contributions to the meeting.
December 2018: We have an open PhD. position for a EU/UK national to study the electronic structure of self-assembled materials using a combination of XPS/UP and quantum chemistry calculations. This position is part of a joint project with the Palgrave group at UCL Chemistry.
November 2018: New joint paper with the Cooper, Nelson and Durrant groups in Liverpool and at Imperial College studying the activity of sulfone-based polymeric photocatalysts using a range of methods including transient spectroscopy and calculations out in Nature Communications.
November 2018: Martijn attended a joint UCL - McGill - TokyoTech collaboration workshop on energy materials at the Tokodai Institute for Elemental Strategy.
November 2018: New group preprint on ChemrXiv on the high-throughput screening of polymer photocatalysts, which will be our contributions to next year's Solar Fuels Faraday Discussion in Cambridge (see also the preprint of our joint contribution with the Cooper group). (Update December 2018: now a paper in Faraday Discussions).
October 2018: New joint paper with Xiaoyan Wang, Linjiang Chen, Seb Sprick and their Cooper group colleagues in Liverpool on sulfone-based covalent organic frameworks as hydrogen evolution photocatalysts out in Nature Chemistry.
July 2018: New joint paper with Seb Sprick and his Cooper group colleagues in Liverpool on nitrogen containing co-polymers as hydrogen evolution photocatalysts out in Chemistry of Materials.
June 2018: New joint paper with the Cooper (Liverpool) and Jelfs (Imperial) groups on on co-polymers of thiophene and phenylene as hydrogen evolution photocatalysts out in the Journals of Materials Chemistry C.
April 2018: Our first foray into the wonderful world of preprints is up on ChemRxiv; a description of high-throughput screening approach for the optoelectronic properties of conjugated polymers. Work lead by Liam and done in collaboration with the Jelfs group over at Imperial. (Update July 2018: now a paper in the Journal of Chemical Information and Modelling).
March 2018: Martijn gave an invited talk at the 'Hydrogen Energy: Production, Storage & Application' symposium part of the 2018 ACS spring meeting in New Orleans, while Liam attended the Solar Fuel Network's 6th UK Solar Fuels Symposium in York.
February 2018: A new joint paper with Emily Draper, Stephen Sproules and Dave Adams (Glasgow) on the effect of substituents on photoconductivity in Self-Assembled Perylene Bisimides, including some neat EPR work, is now out in Chemistry, a European Journal.
October 2017: We welcome Liam Wilbraham (postdoc), Isabelle Heath-Apostolopoulos (PhD. student) and Morounfolu Kuti (MSc. student) to the group.
June 2017: Our paper on benchmarking the electronic properties of small TiO2 clusters using GW and Coupled Cluster Theory Calculations involving Enrico and amongst others Michiel van Setten (UCLouvain) and Karol Kowalski (PNNL) is now out in JCTC.
April 2017: Martijn's daughter Rosalind was born.
April 2017: Martijn gave an invited talk at the 'Catalytic Materials from Molecular Insights' symposium part of the 2017 American Chemical Society Spring meeting in San Francisco
April 2017: New joint paper with the Cooper group (Liverpool) on structure property relationships in CTF photocatalysts published in Polymer.
March 2017: New joint paper with the Durrant (Imperial) and Tang (UCL Chem. Eng.) groups on the time-resolved spectroscopic investigation of charge trapping in carbon nitrides photocatalysts published in JACS.
Jan 2017: New paper with Susanne and Scott on the structure of BaO nanoclusters published in Comput. Theor. Chem.
Dec 2016: Our paper validating our approach for predicting the potentials of charge carriers and excitons in polymers by comparison to UPS data is now online in J. Phys. Chem C.
Picture of Newcastle bridges courtesy of JimmyGuano
April 2022: New paper in Angew. Chem. together with the Sprick, Cooper, Cowan and Kudo groups demonstrating that the linear polymer P10, poly(dibenzosulfone), can drive the overall splitting of water when loaded with irridium and paladium co-catalysts.