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Sciences Division (CSD), Physical Sciences Directorate, at Oak Ridge National Laboratory (ORNL). The postdoc will perform molecular dynamics simulations, statistical mechanics (e.g., rate theory) and
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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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Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences | Poland | 11 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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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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, chemistry, computational science, or a related field. Strong expertise in at least two of the following: density functional theory (DFT)/many-body methods, molecular dynamics (MD), machine learning (ML
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from over 50 nations, it is the largest institute of the Max Planck Society. The Research Group Computational Biomolecular Dynamics (Prof. Dr. Bert de Groot) is inviting applications for a PhD Student or
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Max Planck Institute for Multidisciplinary Sciences, Göttingen | Gottingen, Niedersachsen | Germany | about 2 months ago
. With more than 40 research groups and some 1,000 employees from over 50 nations, it is the largest institute of the Max Planck Society . The Research Group Computational Biomolecular Dynamics (Prof. Dr
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., Nat. Nanotechnol. 16, 414 (2021), An atomic Boltzmann machine capable of self-adaption. [8] E. Sierda et al., Science 380, 1048 (2023), Quantum simulator to emulate lower-dimensional molecular structure
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formation of polyhalogens. The applied methods will include first principles methods like DFT, both for finite and periodic systems, ab initio molecular dynamics simulations and calculations of various
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include exceptionally rich cohorts with diverse omics, imaging, and molecular measurements. The Di Angelantonio-Ieva group is seeking to recruit up to two highly motivated Postdocs in Generative Machine