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. The ideal candidate will have a strong background in modeling and simulation of atomic and molecular structures, along with extensive experience in analyzing the electronic and structural properties
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complex materials simulations. These agents will assist with setting up, executing, and optimizing electronic structure workflows, from standard ground-state Density Functional Theory (DFT) calculations
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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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an autonomous framework for setting up, executing, and optimizing complex electronic structure workflows, ranging from ground-state Density Functional Theory (DFT) to many-body perturbation theory methods such as
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to materials science, and formulate research hypotheses that can be benchmarked through physical experiments or computational simulations. The project is funded by the Research Council of Norway and is a
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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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simulations and large-scale DFT calculations at finite temperature using the Special Displacement Method (SDM) and its anharmonic extension (ASDM). Model polymorphous structures beyond the standard monomorphous
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Minimum Qualifications: Ph.D. in Materials Science, Physics, Chemistry, Mechanical Engineering, or related fields Preferred Qualifications: Strong expertise in atomic-scale simulations (e.g., MD, DFT, ML-FF
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heat transport at the nanoscale. Couple BTE-based models with information from atomistic simulations DFT of advanced materials and thermal interfaces. Investigate phonon scattering, thermal conductivity
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Healthcare Monitoring We welcome applications from those with expertise in or across these disciplines: Computational materials modeling: DFT, molecular dynamics, phase-field modeling, or multiscale