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and other complex fluids using molecular simulations. In order to make these simulations more computationally feasible, development of coarse-grained models and new Monte Carlo or molecular dynamics
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technology. Development of cutting edge foundation models for protein design, small molecule property prediction, or protein function prediction Data generation and curation, including molecular simulation and
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these insights with larger-scale soil and plant models. Perform molecular dynamics simulations to investigate interactions between soil organic matter (SOM), extracellular polymeric substances (EPS), water, and
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-matter physics and biophysics. The successful candidate will work primarily with Dr. Matej Kanduč on research topics related to molecular dynamics (MD) simulations of surfactant and lipid systems
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these insights with larger-scale soil and plant models. Perform molecular dynamics simulations to investigate interactions between soil organic matter (SOM), extracellular polymeric substances (EPS), water, and
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, pharmacophore modelling, and molecular dynamics simulations to design novel GPR84 ligands with predictable signalling bias profiles. About the person: The successful candidate must have, and your application
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, the primary unit of chromatin, using classical all-atom molecular dynamics simulations. The nucleosome is composed of a double-stranded DNA fragment wrapped around a protein core consisting of eight histones
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theoretical models and numerical tools (master equations, quantum trajectory simulations) to investigate coupling regimes, dynamical phase transitions, and the effects of collective dissipation on coherence and
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Proficiency in at least one programming language (Python, C++, …) Keen interest in neuroscience is essential Experience with modelling, analysis of complex dynamical systems, simulation, analysis of large-scale
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Join us to pioneer next-generation generative models that accelerate molecular dynamics. We seek a postdoctoral researcher to develop AI surrogates for molecular dynamics (MD), slashing