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(DFT) simulations and develop machine learning potentials to investigate zeolite-related systems. The role will focus on delivering research projects and promoting research excellence in this area. The
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molecular dynamics simulations to model structural, thermodynamic, and electronic properties. - Contribute to open-source software, benchmarks, and datasets that advance the global materials community
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-throughput first-principles (DFT/MD) simulations, and generative AI to predict, interpret, and design materials for energy storage, energy conversion, and electronic applications. The successful candidate will
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on developing AI-driven methods for catalyst and materials discovery, atomistic simulations, and data-driven understanding of complex energy systems. Key Responsibilities: Research Outputs: Expected to lead 1–2
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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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health products, e.g. toothpaste. The simulations will utilize molecular dynamics and first principles DFT codes to model enamel surfaces and their interactions with the environment of the mouth. You will
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learning for materials discovery or quantitative image analysis, DFT calculations for catalyst design, experiences with MATLAB / Python / AutoCAD / COMSOL • Organic synthesis, polymer chemistry, synthesis
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learning for materials discovery or quantitative image analysis, DFT calculations for catalyst design, experiences with MATLAB / Python / AutoCAD / COMSOL • Organic synthesis, polymer chemistry, synthesis
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-Hermitian Systems, Statistical Physics https://sites.google.com/view/moonjippark/home - Prof. Sunwoo Kim (Hanyang University): DMFT, DFT, Strongly Correlated Electron Systems - Prof. Youngseok Kim (Ohio State
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that operate at room temperature. In this project, Density Functional Theory (DFT) calculations will be used to simulate defect structures of h-BN, like substitutional, vacancy and interstitial defects