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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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modeling molecular dynamics using our trapped Rydberg ion technology. This position is part of the ERC Synergy project "Open 2D Quantum Simulator (OPEN-2QS)", which start on 1 May 2025. The OPEN-2QS project
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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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. In the project you should: Design and implement enzyme libraries using generative AI tools such as RFdiffusion2 or BoltzDesign. Perform molecular dynamics simulations to assess enzyme-substrate
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tools such as RFdiffusion2 or BoltzDesign. Perform molecular dynamics simulations and in silico screening to assess inhibitor-target interactions and predict selectivity. Clone, express, and purify top
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modelling of materials and machine learning. Experience in atomistic modelling (molecular dynamics, density functional theory) and machine learning is important, as well as a strong interest in pursuing