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methods and workflows for chemical problems and experience using simulation software Demonstrated experience with various computational chemistry techniques: DFT-, force-field- and/or molecular-dynamics
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Functional Theory (DFT), machine-learned force fields (MLFF), graph neural networks (GNNs), or large language models (LLMs). Extensive Knowledge In: • First-principles atomistic simulations with packages
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' (http://www.quanthic.org ) within the Institut of Chemistry for Life and Health Sciences at Chimie ParisTech -PSL (Paris, France). This work is financed under the ANR ElectroHIP project. Where to apply
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Materials, Bioinspired Materials and Sustainable Materials. For more details, please view https://www.ntu.edu.sg/mse/research . We are looking for a Postdoctoral Fellow to contribute to building computational
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of radionuclides on clay mineral surfaces using DFT Kinetic Monte Carlo simulations with activation energy barriers as input to simulate large-scale interactions of nuclides with surfaces Preparation and
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by metal nanoparticles, cell survival and radioresistance. The MS-RADAM research programme combines state-of-the-art computational multiscale modelling (using DFT/TDDFT methods, collision theory
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information about the University, visit: http://www.csun.edu About the College: The College of Engineering and Computer Science seeks to be a recognized center for excellence for baccalaureate and master’s
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California State University, Northridge | Northridge, California | United States | about 19 hours ago
% are Native American, and 0.1% are Native Hawaiian or Pacific Islander. For more information about the University, visit: http://www.csun.edu About the College: The College of Engineering and Computer
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and graduate levels (minimum grade of 16 out of 20). Good oral and written English communication skills are required. Experience in computational modeling (DFT and ab initio) with benchmarking
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nanoparticles, cell survival and radioresistance. The MS-RADAM research programme combines state-of-the-artc omputational multiscale modelling (using DFT/TDDFT methods, collision theory, molecular dynamics