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the intricate dynamics of molecular collisions and reactions? Want to operate world-unique equipment? Join us as a PhD candidate and contribute to exciting research on cold and controlled reactive molecular
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molecular dynamics; • Have skills in (scientific) written and oral communication and want to apply these skills to share research findings in scientific meetings/conferences and journals; and • (Preferably
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–specific ways, and their downstream biological effects remain poorly understood. This project tackles this fundamental gap — by building computational models that simulate what goes wrong in the brain, one
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Your Job: The overarching goal is to implement a code for multiscale quantum mechanics / molecular mechanics (QM/MM) molecular dynamics simulations using a Quantum Centric Supercomputing (QSC
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: The Evolutionary Microbiology lab’s (https://www.ibe.upf-csic.es/evolutionary-microbiology-group ) goal is to study the molecular mechanisms that facilitate adaptation to changing environments, as well as the limits
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carried using explicit water molecules relying on molecular dynamics (thermodynamic integration and/or metadynamics). The screening for improved catalysts compared to the state-of-the-art (Pt-Ru) will start
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schemes. Building ion trapping setup for Ca+ ions. Learning/operating fabrication and characterization equipment e.g. STM. Simulating fabrication methods. Collaboration with other groups at NQCP and
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the simulation and study of phenomena such as novel states of matter like quantum glasses, molecular dynamics and quantum thermodynamics. The PhD project is primarily experimental and will be carried out within
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scattering with computer modelling such as molecular dynamics simulations and AI-assisted data mining. The new technical capabilities will help bridge the current gap in biocide development, i.e., to link
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mechanics (QM / MM) molecular dynamics simulations using a Quantum Centric Supercomputing (QSC) approach [1,2] for the QM problem. This will be integrated within the in-house MiMiC framework [3] and applied