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, with a dynamic international exposure animated by regular seminars and meetings. The Laboratoire de Biochimie Théorique (LBT) is internationally recognized for developing and applying computational
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the reach of traditional molecular simulations. Therefore, this project will apply adaptive kinetic Monte Carlo simulations to model zeolite formation as a dynamic network of growing and dissolving clusters
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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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bring or send –for the interview- a certified copy of the degree and/or master, as well as the academic record showing the marks of all subjects studied. Specific Requirements Experience in molecular
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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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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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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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: 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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–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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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