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Massachusetts Institute of Technology | Cambridge, Massachusetts | United States | about 18 hours ago
other gauge theories, connections to string theory, and QCD at high density. Our group currently includes faculty members William Detmold, Krishna Rajagopal, Phiala Shanahan and Iain Stewart as
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Description Job Duties: Conduct the computational and theoretical research on magnetic and topological properties in van der Waals materials using Density Functional Theory (DFT) calculations, tight-binding and
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have a strong interest in both theory and numerical work. Numerical work involves code development (e.g., changing the C++ LAMMPS code, programming of data analysis tools, etc.), carrying out large-scale
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to) SIESTA (www.siesta-project.org) and its TranSIESTA functionality. SIESTA is a multipurpose first-principles method and program, based on Density Functional Theory, which can be used to describe the atomic
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related field are particularly encouraged to apply.We seek candidates with expertise in some or all the following areas: density functional theory, deep learning, high-throughput simulations, molecular
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for state-of-the-art high performance computing architectures. Study the dynamics and properties of lattice models of nonequilibrium quantum materials using innovative computational techniques. Collaborate
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, Physics, Computational Chemistry, Nanoscience, Chemical Engineering, or a related field. Strong background in modelling (electro)catalytic processes using periodic density functional theory (DFT) is
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thin films possessing the desired magnitude and direction of the polarization. The successful candidate will perform atomistic simulations, using both density functional theory and classical molecular
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, chemistry, computational science, or a related field. Strong expertise in at least two of the following: density functional theory (DFT)/many-body methods, molecular dynamics (MD), machine learning (ML
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functional theory) and high-performance computing. Additional background in renewable energy, surface science, catalysis, and/or machine learning. Strong programming skills in Python and some exposure to