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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
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semiconductors, including conjugated polymers. • Perform molecular dynamics simulations to investigate structural organization and molecular connectivity. • Carry out electronic-structure calculations
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Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences | Poland | about 1 month ago
techniques Chemistry » Molecular chemistry Chemistry » Organic chemistry Chemistry » Other Chemistry » Physical chemistry Chemistry » Reaction mechanisms and dynamics Chemistry » Structural chemistry
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | about 2 months ago
knowledge of the molecular dynamics simulations, polymer physical chemistry, and data analysis, Linux operating systems, programming skills and scripting, all of which could be obtained during
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molecular and quantum materials containing lanthanide centers poses significant challenges due to the need to describe spin-orbit coupling (SOC), scalar relativistic effects, and both dynamic and non-dynamic
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molecular dynamics, computational fluid dynamics, and quantum chemistry for next-generation hardware. You will join a project team of HPC software scientists at KCSC collaborating closely with and driving
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modeling; A solid understanding of molecular simulations, especially in relation to RNA systems, and capable of handling largescale biological data; Ability to communicate scientific concepts, analytical
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molecular and quantum materials containing lanthanide centers poses significant challenges due to the need to describe spin-orbit coupling (SOC), scalar relativistic effects, and both dynamic and non-dynamic
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technologies Develop and apply new tools to study mtDNA mutations, copy number, and dynamics Characterize the cellular and mitochondrial consequences of mtDNA mutations using molecular, imaging, and functional
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nanoporous media; Atomistic simulation of chemical reactions and/or thin-film growth; Data-driven cheminformatics for molecular modeling and/or design; Molecular dynamics simulations. Your background and