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from E. coli using molecular simulations to understand electron transfer between the second heme b and heme d [4]. To this end, we performed molecular dynamics simulations of the protein within a
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Inria, the French national research institute for the digital sciences | Palaiseau, le de France | France | 28 days ago
. These simulations are run on highly parallel supercomputers on which both the hardware and the software are optimized for the task at hand. While the computing power of each processing unit is still increasing, the
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. Propose, develop, and test enhancements (e.g., shock-capturing strategies or improved numerical schemes). 3. Idealized supersonic flow simulations: Using the optimized code, conduct idealized simulations
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9 Mar 2026 Job Information Organisation/Company CNRS Department Complexe de recherche interprofessionnel en aérothermochimie Research Field Engineering Chemistry Physics Researcher Profile First Stage Researcher (R1) Application Deadline 30 Mar 2026 - 23:59 (UTC) Country France Type of...
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detection by mass spectrometry, by combining molecular dynamics simulations and experiments (Figure 1).1-5 The present PhD thesis will investigate the effects of additional specific ions in fluid samples
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/H2 flames in porous burners using direct numerical simulations (DNS) to understand NOx formation mechanisms. The research, in collaboration with CEA, will utilize the CFD code CONVERGE, employing
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mesocentre) and the national supercomputing centres where the climate simulations will be carried out (such as the CEA's TGCC). The GEOSIC project includes funding for travel and other expenses during
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systems (LIED, Université Paris Cité), experts in classical atomistic simulations (molecular dynamics and coarse-graining, LMCE, CEA/DAM/DIF), as well as specialists in continuum simulations (finite element
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combined approach using numerical modeling and environmental metrology Key words: simulation, modeling, partial differential equations, hydraulics, inverse problem, sediment transport, peri-urban catchment
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AMMETIS[1] (AI-assisted Simulations of Microstructure driven Mechanical properties from high Throughput and multiscale analysIS), in the framework of PEPR DIADEM[2] , which aims to develop an advanced