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electrocatalysts. Main Tasks and responsibilities: The PhD position is framed within the MAIAMI project. The student will work on DFT and molecular dynamics simulations, generating structural and electronic
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datasets across broad chemical space Evaluate models through molecular dynamics, simulations, and benchmarks Active Learning in Configurational and Chemical Spaces Integrate uncertainty-aware MLFFs
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learning methodology, electronic structure theory, and molecular dynamics methodology to simulate ultrafast chemical dynamics at surfaces and in materials. Your personal sphere of influence: As a university
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cost of MD simulations by several orders of magnitude. Notable examples of our work in this area include Boltzmann Generators [1 ,2 ], Surrogate-model Assisted Molecular Dynamics [3 ], and Implicit
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programme Is the Job related to staff position within a Research Infrastructure? No Offer Description We seek a dynamic and proficient individual to contribute to our ongoing research endeavors focused
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Your Job: Healthy brain function relies on dynamic changes at the synapse. The relevant synaptic turnover and plasticity processes span spatial scales from the molecular up to the network level, and
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research environment for biophysics. Our group combines molecular dynamics simulations with machine learning techniques to understand how proteins, biomembranes, and small drug-like molecules interact
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, while preserving ultimate precision in single-molecule localization and access to key photophysical parameters (fluorescence lifetime, brightness, molecular dynamics). This approach paves the way toward
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fusion and intracellular cargo delivery. Using a combination of coarse-grained molecular dynamics simulations with the Martini force field and complementary biophysical approaches, we will elucidate