…BibTeX @article{RN8, title = {Hydride-Induced Reconstruction of Pd Electrode Surfaces: A Combined Computational and Experimental Study}, author = {A. Ngoipala and C. Schott and V. Briega-Martos and M. Qamar and……researchers to numerically study several complex fluid applications in detail. Moreover, with the ever-increasing high-performance computing resources, it has become possible to tackle larger molecular systems beyond the nanoscale, typically…
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…Engineering or Materials Engineering, Physics Engineering, Chemistry, Physics or equivalent degrees. A background in computational material science, computational chemistry or equivalent computational experience is desired as well as good communication……to select and work on one of the topics; ranging from computational design of membranes, experimental validation and electrochemical tests to computational reaction network generation, kinetic, and reactor modelling. Potential…
…often condemned for their scarcity and high cost. As an alternative, intense research is being carried out in designing and evaluating earth-abundant carbon-based metal-free materials as electrocatalysts. Recent attempts in……the field of material science have opened possibilities for designing hybrid carbon-based nanomaterials with enhanced properties compared to their individuals. Stimulated by the stability and physicochemical characterization of hybrid carbon-based…
…work of Prof Thompson’s group is supported by in-house high-performance computing workstations and by access to massively parallel facilities at the Irish Centre for High End Computing (ICHEC). Matthias Vandichel……Matthias is group leader, senior lecturer in chemical engineering Matthias leads a multidisciplinary research team focusing on Materials & Catalysis Modeling (macatamo-group.com). Research focus: Electronic Structure Calculations, Computational Catalysis, applications…
…the Presence of Iron, https://doi.org/10.1021/acs.inorgchem.0c03746 2. Elucidation of Structure-Activity Relations in Proton Electroreduction at Pd Surfaces: Theoretical and Experimental Study, https://onlinelibrary.wiley.com/doi/10.1002/smll.202202410 3. Computational unravelling of cathodic hydride formation on palladium……The first report of such reaction was published 30 years ago, but quickly dismissed by the scientific community. But what if there is really something? Can we afford to not…
…and modelling). Matthias leads a multidisciplinary team (Materials and Catalysis Modelling group – https://macatamo-group.com). His main research interests are: computational materials and catalysis research, porous materials and inorganic interfaces. Sousa…