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    • PhD position in Molecular Electronics

    Duration: 4 years. Expected starting date: September 2023 Gross salary: approx. 17 k€/year for the first two years, 18.2 k€/year in the third year and 22.8 k€/year in the fourth year. Funding: FPI fellowship associated to the project “Estructura Electrónica y Propiedades Físicas de Moléculas y Sólidos Inorgánicos” with reference PID2021-122464NB-I00 funded by MICIIN (Spain). […]

    PhD position in computational modelling of spin-crossover (SCO) devices inserted in carbon nanostructures.

    We offer a four-year PhD position (FPI) at the Theoretical and Computational Chemistry Institute (IQTC-UB) at the University of Barcelona, in the field of computational modelling of spin-crossover (SCO) devices inserted in carbon nanostructures. The successful candidate will study by means of computational and theoretical tools the interplay between the spin-state of a transition metal […]

    PhD position in design and modelling of novel electrocatalyst systems.

    Duration: 4 years. Gross salary: approx. 17 k€/year for the first two years, 18.2 k€/year in the third year and 22.8 k€/year in the fourth year. Working place: San Sebastián (Spain) with some visits to Barcelona (Spain). Funding: MORECAT project funded by MICIUN (Spain) via a PhD grant of the FPI type. PhD advisors: • […]

    INPhINIT Incoming Fellowship – Multiscale modeling of Complex Oxide-Based Nanostructured Catalysts Under Reaction Conditions assisted by machine-learning

    GROUP LEADER Prof. Konstantin Neyman konstantin.neyman@icrea.cat RESEARCH PRODUCT / RESEARCH GROUP Prof. Neyman’s profile in ICREA website https://www.icrea.cat/Web/ScientificStaff/Konstantin-M-Neyman-292 POSITION DESCRIPTION Research Project / Research Group Description Transition to a sustainable society requires designing new catalysts able to mediate the synthesis and consumption of fuels and pollution abatement more efficiently. Modeling, simulation, and machine-learning provide unprecedented […]

    INPhINIT Incoming Fellowship – Ionic 2D Materials: From Synthesis to Devices

    GROUP LEADER Prof. Eliseo Ruiz eliseo.ruiz@qi.ub.edu RESEARCH PRODUCT / RESEARCH GROUP personal web http://www.ee.ub.edu/index.php?option=com_content&view=article&id=85&Itemid=487 POSITION DESCRIPTION Research Project / Research Group Description 2D materials are a booming topic with a wide variety of applications in many research fields, from optoelectronics, photonics or qubit devices to catalysis. So far, these layered nanoscopic materials have been obtained […]

    INPhINIT Incoming Fellowship – Identifying function of non-structured proteins by molecular simulations. New paradigm for intrinsic disordered proteins.

    GROUP LEADER Dr. Sergio Madurga Díez s.madurga@ub.edu RESEARCH PRODUCT / RESEARCH GROUP The Biophysical Chemistry of Macromolecules and Colloids (BioPhysChem) group, belongs to the Integrative Biochemistry consolidated group by the Generalitat of Catalonia (Spain), directed by Prof. Marta Cascante of Biochemical and Molecular Biomedicine Department (UB), which has acquired great international prestige in the field […]

    INPhINIT Incoming Fellowship – Fighting Global Warming by Tuning MXene Materials as Catalysts for CO2 Conversion

    GROUP LEADER Prof. Francesc Viñes Solana francesc.vines@ub.edu RESEARCH PRODUCT / RESEARCH GROUP This is homepage of the Computational Materials Science Laboratory (CMSL), where my group is embedded, focused on surface chemistry and heterogeneous catalysis research, along with other groups working in other closely related fields. http://www.ub.edu/cmsl/ POSITION DESCRIPTION Research Project / Research Group Description Actions […]

    INPhINIT Incoming Fellowship – Drug Design targeting allosteric sites of proteins

    GROUP LEADER Prof. Jaime Rubio-Martinez jaime.rubio@ub.edu RESEARCH PRODUCT / RESEARCH GROUP Structure-based design and discovery of protein ligands have emerged as a new tool in medicinal chemistry. In particular, the knowledge of the three-dimensional structure of a protein can be used to derive new protein ligands with improved binding properties ( i.e. new drugs ). […]

    INPhINIT Incoming Fellowship – Dissection of molecular mechanisms of glycoprocessing enzymes involved in disease using QM/MM methods

    GROUP LEADER Prof. Carme Rovira c.rovira@ub.edu RESEARCH PRODUCT / RESEARCH GROUP We work at the Chemistry Department of the University of Barcelona. Our research is focused on the study of enzymatic reactions and ligand-protein interactions at atomic and electronic detail, using computer simulation. Currently, we are interested in: Mechanisms of biosynthesis and degradation of carbohydrates […]

    INPhINIT Incoming Fellowship – Multiscale modeling of Complex Oxide-Based Nanostructured Catalysts Under Reaction Conditions assisted by machine-learning

    GROUP LEADER Prof. Konstantin Neyman konstantin.neyman@icrea.cat RESEARCH PRODUCT / RESEARCH GROUP Prof. Neyman’s profile in ICREA website https://www.icrea.cat/Web/ScientificStaff/Konstantin-M-Neyman-292 POSITION DESCRIPTION Research Project / Research Group Description Transition to a sustainable society requires designing new catalysts able to mediate the synthesis and consumption of fuels and pollution abatement more efficiently. Modeling, simulation, and machine-learning provide unprecedented […]