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algorithms; (3) machine learning, generative models, large language models, reinforcement learning, agent learning, robotic control; (4) quantum materials simulation, density functional theory, catalysis and
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computational methods at the density-functional and dynamical mean-field-theory levels, metal-insulator and structural phase transitions, quantum critical points, nonlinear and anomalous responses
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-canonical Density Functional Theory (DFT), explicitly treating the electrochemical potential and implicitly accounting for the solvent. The screening of various alloys as alternative catalysts to the state
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spintronics. Complemented with density functional theory (DFT) calculations to build scientific and technical competence as well as strengthen transferrable skills, this position provides you with the
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scholar will work on combining density functional theory calculations and machine learning (ML) to model the life- cycle stability in beyond-lithium ion batteries. Job Related Minimum Required Education
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opportunities. We also have research groups that develop and apply density functional theory and other theoretical methods to understand and support experimental research related to hydrogen production and
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, quadrupolar nuclei, or two-dimensional NMR methods, is highly desirable. Experience with computational methods such as density functional theory calculations, geometry optimization, and prediction
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constitutes the foundation of the engineering physics education Your qualifications should include: Strong track record in research based on Density Functional Theory (DFT). Ideally, with respect to both
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simulation (density functional theory, molecular dynamics, microkinetic modelling or other molecular simulation techniques relevant for the project), and who show aptitude to perform research in the
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theoretical approaches, including atomistic simulations and first-principles methods such as density functional theory (DFT). The candidate will contribute to modeling and optimization of ammonothermal GaN