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Max Planck Institute for Extraterrestrial Physics, Garching | Garching an der Alz, Bayern | Germany | 3 months ago
dynamics simulations and enhanced sampling methods for the study of rare events, such as surface reactions and surface dynamics for astrophysically relevant conditions; simulating pure and mixed ices
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and nanofabrication. The work also relies on theory and simulation, specifically focusing on numerical mean-field electrostatics calculations and Brownian Dynamics simulations. The group is looking
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Sorbonne Université SIS (Sciences, Ingénierie, Santé) | Paris 15, le de France | France | about 2 months ago
dynamics simulations of biomolecules in solution – using models of about 100 000 atoms – that provide a data set to train stochastic low-dimensional models (Langevin equations), based on diffusion on a
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, molecular dynamics) to investigate physical properties and phenomena in nanomaterials. Analyze and interpret computational results; prepare high-quality manuscripts and research reports. Present research
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optimization code used, particularly for automated transition state searches. • Perform molecular dynamics simulations to estimate thermodynamic/macroscopic properties. IPREM brings together over 300 staff
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prediction algorithm and molecular dynamics simulations. For more details, please view https://www.huilingshaogroup.com/. We are looking for a Postdoctoral Research Fellow to design and execute independent and
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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
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many different methodological assumptions, that are currently based around simple single conformations of globular proteins. To address this gap, molecular dynamics (MD) simulations and Neutron
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modeling of x-ray spectroscopies sensitive to molecular chirality; simulations of x-ray–induced ultrafast electron-transfer, decay, and nuclear dynamics in gas- and liquid-phase systems; and the development
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Theory , Atomic Molecular and Optical Physics , Atomic Physics , Atomic, Molecular, and Optical Physics , atomic-molecular-optical physics , Atomic/Molecular Physics , Biological Physics , Biophysics