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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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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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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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–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
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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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analytical methods. Experience with computational methods, including molecular dynamics, density functional theory or data-driven materials research. Experience working with industry partners or contributing
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] - Dynamical Mean-Field Theory (DMFT) and Density Functional Theory (DFT) - Density Matrix Embedding Theory (DMET) - Density Matrix Renormalization Group (DMRG) - Quantum Monte Carlo (QMC) - Tensor network