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mechanics, solid-state physics/chemistry, and/or quantum mechanics • Practical experience with density functional theory calculations (e.g., VASP, Quantum Espresso, Q-Chem, PySCF) • Proficiency in
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rather than essential, and we encourage you to highlight any relevant experience in your application: Single crystal diffraction and advanced diffraction methods. Density functional theory calculations
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deployment enabling validation and demonstration of real-world applications. For more details, please view https://www.ntu.edu.sg/erian We are looking for a Research Fellow to conduct Density Functional Theory
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waste-heat recovery systems; Undertake density functional theory calculations and finite element analysis to guide the selection and development of thermoelectric materials and devices, while contributing
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methods such as molecular dynamics (MD) or density functional theory (DFT). • Experience with energy storage devices or materials • Knowledge of battery electrolytes, including water in salt aqueous
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methods such as molecular dynamics (MD) or density functional theory (DFT). • Experience with materials simulation tools or software is preferred. • Knowledge of battery materials, including
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have experience of using molecular dynamics and/or density functional theory methods and a proven ability to structure, manage and work with quantitative data. You will be able to evidence designing and
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of solid-state materials, with experience in density functional theory (DFT) and/or machine learning interatomic potentials. We welcome applicants with a broad range of research interests and experiences who
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of solid-state materials, with experience in density functional theory (DFT) and/or machine learning interatomic potentials. We welcome applicants with a broad range of research interests and experiences who
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–based materials by Density Functional Theory: Ferroelectric perovskites, such as BaTiO3 (BTO), are promising materials for electro-optic modulators (EOMs) in photonic quantum computers owing