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- MOHAMMED VI POLYTECHNIC UNIVERSITY
- KINGS COLLEGE LONDON
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‑chemical calculations on organic small molecules and π‑conjugated systems. • Conduct periodic DFT simulations to explore electronic band structures and transport. • Analyse charge transport, thermoelectric
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anharmonic DFT calculations of PAHs available in the team You will implement neural networks based on PAH molecular structure to predict their anharmonic spectrum You will test the accuracy of topological
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anharmonic DFT calculations of PAHs available in the team You will implement neural networks based on PAH molecular structure to predict their anharmonic spectrum You will test the accuracy of topological
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, MD simulation, DFT modeling) Numerical methods in mechanics of materials for fatigue If interested, please send your application materials with the subject line “Postdoc in AM” to Dr. Amir Mostafaei
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properties of Li-rich three-dimensional materials for lithium battery cathodes using density functional theory (DFT), molecular dynamics, cluster expansion, machine learning computational techniques. This work
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density functional theory (DFT) Evidence of independent funding Downloading a copy of our Job Description Full details of the role and the skills, knowledge and experience required can be found in the Job
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of enantiomeric excess. Experience in using/applying density functional theory (DFT) Evidence of independent funding Downloading a copy of our Job Description Full details of the role and the skills, knowledge and
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. Experience in asymmetric synthesis and the determination of enantiomeric excess. 2. Experience in using/applying density functional theory (DFT) 3. Evidence of independent funding
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formation of polyhalogens. The applied methods will include first principles methods like DFT, both for finite and periodic systems, ab initio molecular dynamics simulations and calculations of various
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behavior within the storage system to optimize design and performance. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational