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the study of nucleation mechanisms, the analysis of out-of-equilibrium energy and thermodynamic balances, and the validation of results by comparison with experimental data and atomistic simulations
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atomistic simulation methods, such as molecular dynamics, density functional theory, and machine-learning force fields, to elucidate the deformation mechanisms activated by external stimuli. The candidate
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, implementation, and validation against atomistic simulation data. Where to apply E-mail hadrien.vroylandt@unicaen.fr Requirements Research FieldChemistryEducation LevelPhD or equivalent Research FieldComputer
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to leverage quantum computing and quantum sensing technologies for the development and optimization of next-generation batteries. Quantum computing bears tremendous potential in the simulation of interactions
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) to organize simulation outputs for analysis, benchmarking, and reproducibility. Document workflows and contribute to publications and dissemination activities within the project. Where to apply Website https
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different types of simulations at different scales. For the atomic level, you will use atomistic molecular dynamics simulations, which are so expensive computationally that supercomputers are needed
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Number: 30648 Posting Number: S06699P Job Description: Candidate will work on DFT and atomistic simulation study and experimental development of battery cathode materials in close collaboration between
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, simulation, decision-making, and/or policy development for sustainable, resilient, and autonomous systems and technologies in CaSE-relevant applications. The successful candidate will join a vibrant department
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No Desired Start Date 11/10/2025 Job Summary Candidate will work on DFT and atomistic simulation study and experimental development of battery cathode materials in close collaboration between BEACONS and
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, and predict thermo-catalytic processes, crucial for reducing fossil fuel reliance in chemical technologies. By integrating atomistic simulations with macroscopic insights, Cardiff and Southampton