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the application of molecular dynamics simulations to molecular systems, ideally in both methods and applications. Experience in Atmospheric Water Harvesting, metal organic framework modelling and machine learning
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Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences | Poland | 7 days ago
properties and a variety of potential applications. Application of the molecular dynamics methods combined with the approach based on the thermodynamic models of multicharged surfactant adsorption can provide
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/andreas-kohler/ Project description While protein quality control (PQC) systems for mitochondrial proteins encoded by nuclear DNA are well studied, the molecular basis of PQC for mitochondrially encoded
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to the Lab’s broader effort in CH4 and CO2 utilization R&D. The role will require the individual to work with personnel that perform machine learning and molecular simulations and electrochemical device testing
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thin films possessing the desired magnitude and direction of the polarization. The successful candidate will perform atomistic simulations, using both density functional theory and classical molecular
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sequences for predicting disease progression and outcomes; Developing advanced generative models to simulate patient health trajectories, including disease progression, based on real-world data, enhancing
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more than 300 researchers, engineers, and students working across analytical chemistry, physico‑chemistry, environmental science, and materials science. CAPT combines quantum chemistry, molecular dynamics
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We are seeking a Postdoctoral Research Associate to support our projects to understand membrane evolution. The aim of this project is to use molecular dynamic simulations to understand membrane
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aims to digitalize the sense of smell, laying the foundation for understanding how olfaction works in humans and for building AI models that simulate olfactory experiences. The research will focus
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The researcher will study the potential of atto-photochemistry on organic or inorganic photoinduced reactions. He or she will use quantum chemistry and molecular dynamics methods to do so. The overall objective is