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have expertise and experience in executing density functional theory (DFT) calculations, microkinetic modeling, kinetic Monte Carlo simulations, and Machine learning methods. Minimum Qualifications: Must
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methods such as Density Functional Theory (DFT) and Molecular Dynamics (MD), and, optionally, in X-ray scattering or diffraction.For more information and to apply, please submit a cover letter, CV and a
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Density Functional Theory (DFT) calculations. Application Process: Interested Candidates should contact Dr. Mausumi Mahapatra via email at mmahapatra1@luc.edu . Applicants are required to submit their CV
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proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational investigation of material properties, electronic structure, and atomic-scale behavior
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assemblies, ideally with a focus on battery materials. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics (MD) simulations, enabling the computational investigation
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purification. The postdoc will perform theoretical simulations of 3D/2D materials by primarily Density Functional theory (DFT), for identification of ground state crystal structure, composition and properties
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vibrational emission features dominating the spectra of entire galaxies. Anharmonic spectra for PAHs can be calculated using 2nd order Vibrational Perturbation Theory on Density Functional Theory derived