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the performance and scalability of large-scale molecular dynamics simulations (e.g. LAMMPS) using machine-learned potentials (e.g. MACE) through algorithmic improvements, code parallelization, performance analysis
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, the primary unit of chromatin, using classical all-atom molecular dynamics simulations. The nucleosome is composed of a double-stranded DNA fragment wrapped around a protein core consisting of eight histones
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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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combine density functional theory (DFT), molecular simulations, and machine-learning force field (ML-FF) development to uncover the factors controlling NHC–surface interactions and to model realistic
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related to staff position within a Research Infrastructure? No Offer Description Title: Using molecular approaches to understand the biodiversity associated with rhodolith beds The Marine Ecology and
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. The Department of Medical Biochemistry and Biophysics at Umeå University, Sweden, invites applicants for a two-year Postdoctoral fellowship in structural and molecular virology. The fellowship is expected to start
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of CIMAP laboratory - Centre de recherche sur les ions, les matériaux et la photonique (Caen, France). She/he will be involved in research activities related to the SMILEI project (Storage of Molecular Ion
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. Molecular and cell biology skills on mammalian cells or mouse models. The incumbent must have demonstrated experience in skin or epithelial biology, developmental biology, extracellular matrix biology, signal
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. Molecular and cell biology skills on mammalian cells or mouse models. The incumbent must have demonstrated experience in skin or epithelial biology, developmental biology, extracellular matrix biology, signal
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leveraging AI, quantum chemistry, and molecular dynamics simulations. The candidate will work in close collaboration with experimental groups providing validation/testing of novel mixed conducting materials