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underlying these processes remain poorly represented. This PhD project aims to fill that gap by using molecular simulations to quantify the interactions of SOM and EPS with water and minerals, and to connect
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sustainability. We develop functional fiber materials with specific photonic and electronic properties by polymer molecular engineering and fiber structure design. Together with advanced textile technology
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research tasks: (i) modeling electric and magnetic excitations in two-dimensional (2D) materials, and (ii) simulation of charge transport phenomena in plasmonic crystals with 2D electron gas layers, with
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research tasks: (i) modeling electric and magnetic excitations in two-dimensional (2D) materials, and (ii) simulation of charge transport phenomena in plasmonic crystals with 2D electron gas layers, with
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differential equation models of bacterial persistence. A particular challenge, both for simulation and for machine learning, lies in the high dimensionality of these equations, which causes grid-based numerical
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. Description: Context: Laboratory Astrophysics is a core capability at NASA Ames Research Center. Laboratory experiments and quantum-chemical computations simulating astrophysical conditions generate data
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://www.mbnresearch.com ) is internationally recognised as a leading expert in the multiscale theory and simulations of molecular and condensed matter systems exposed to radiation, the development of advanced computational
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knowledge/research experience in the following areas: Microbiological monitoring methods for water samples, using both classical microbiology and molecular microbiology approaches (e.g., DNA extraction
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technology. Development of cutting edge foundation models for protein design, small molecule property prediction, or protein function prediction Data generation and curation, including molecular simulation and
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physical parameters, namely the anisotropies and the diffusion coefficients, will be obtained from molecular dynamics calculations in collaboration with Science et Ingénierie, Matériaux, Procédés (SIMAP