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associate. For details of recent research progress of the group, please visit ORCID: 0000-0002-8591-2652 Research Fields (1) Use density functional theory, many-body perturbation theory, and analytical models
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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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validate the predictions of the ML models by means of atomistic modeling, in particular density functional theory (DFT) calculations, obtaining simulated electronic and emission spectra for the CDs. Finally
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theory (Density Functional Theory, Wave Function Theory) is expected. - Solid experience with the Python programming language and Unix/Linux environment - Good command of scientific English, both written
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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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The Nuclear Theory group at The Ohio State University invites applications for a postdoctoral position at the intersection of nuclear theory and astrophysics, focusing on the study of dense nuclear matter and
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functional theory (DFT)-based approaches, coupled with effective continuum and/or tight-binding models derived from first-principles calculations. The project is part of a large, multi-institution
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candidate would work on projects in methods development for coupled electron-nuclear dynamics based on the exact factorization approach and time-dependent density functional theory. Projects involve theory
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system. Duties include: (i) construction and cataloging of thermochemical databases, (ii) using density functional theory to compute the thermochemical properties of mineral phases relevant to CAIs and
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build using molecular dynamics, the MACE foundation models and density functional theory. Main Tasks and responsibilities: AI4LSQUANT aims to accelerate quantum modelling by learning fast, accurate