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Field
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of important biochemical mechanisms. Areas of study may include, but are not limited to: protein design and engineering; molecular structure, dynamics, and interactions of proteins and nucleic acids; functional
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spin-lattice dynamics simulations, a framework that combines atomistic spin dynamics (magnons) with molecular dynamics (phonons), to investigate ways of manipulating spins in various magnetic systems
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prediction algorithm and molecular dynamics simulations. For more details, please view https://www.huilingshaogroup.com/. We are looking for a Research Assistant to design and execute independent and
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perception. The project is in close collaboration with the experimental groups in the institute. Key Responsibilities Molecular Dynamics simulations Enhanced sampling Molecular Dynamics simulations AI
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ALMA MATER STUDIORUM - UNIVERSITA' DI BOLOGNA - - DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI" | Italy | 2 months ago
Infrastructure? No Offer Description Quantum non-adiabatic molecular dynamics simulations of the photoinduced ring-opening process of cyclohexadiene and other organic chromophores. Accurate calculation
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, for the major lower-mantle solid solutions (bridgmanite, post-perovskite, ferropericlase, and davemaoite). The work involves large-scale molecular dynamics simulations to calculate non-ideal mixing properties and
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National Aeronautics and Space Administration (NASA) | Pasadena, California | United States | 6 days ago
. Description: Icy surfaces and cold volatile environments are ubiquitous across astronomical and planetary landscapes. Dense star-forming regions, protoplanetary disks, and cold molecular clouds serve as
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computational pharmacology project investigating allosteric communication in G protein-coupled receptors, using molecular dynamics simulations and network analysis. Teaching responsibilities include delivering
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, crystallography) and molecular simulations. The PhD student is recruited within the ANR-funded project MyoAssemble. Myosins are molecular motors involved in several critical cellular processes. They convert
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, ideally molecular dynamics and/or DFT. Scientific programming skills, particularly in Python, are expected. Familiarity with machine learning or generative AI methods applied to materials would be a strong