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Sorbonne Université SIS (Sciences, Ingénierie, Santé) | Paris 15, le de France | France | 2 days 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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focus of their work is the role of protein dynamics and quantum mechanics during enzyme catalysis. Much of the work involves computational chemistry, often combing molecular dynamics (MD) simulations with
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, perform simulation studies, and apply developed methods to empirical datasets. The positions do not involve any lab work. The work includes mathematical modeling, algorithm development, statistical analysis
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(SustainCARE, https://doi.org/10.3030/101220359 ), led by Dr. Yun Liu. SustainCARE brings together heritage science, building physics, advanced modelling, and climate-conscious preservation, offering a unique
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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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to the subject area. Applicants must have documented research experience in molecular genetic approaches, fluorescence microscopy, mammalian cell culture, and intracellular infection models. Experience in
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to apply. We seek candidates with expertise in some or all the following areas: density functional theory, deep learning, high-throughput simulations, molecular dynamics, and materials chemistry. Strong
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molecular dynamic calculations) will be needed to develop these types of models. Some of the complex material systems of interest are metallic glasses, nanocrystalline metals, hydrogen storage materials
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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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the mechanical behavior of these materials at the nanoscale. Subsequently, a molecular dynamics model will be developed to simulate the matrix–nanotube interaction, analyzing the effects of adhesion, orientation