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modelling stability of electrocatalyst materials. The aim is to develop a framework to predict metastability of catalyst materials. Among the methods used will be Density Functional Theory, statistics
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qualifications should include: Strong track record in research based on Density Functional Theory (DFT). Ideally, with respect to both applications and method development Proven expertise in computational
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first principles DFT codes to model enamel surfaces and their interactions with the environment of the mouth. You will have experience of using molecular dynamics and/or density functional theory
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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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Academy, University of Gothenburg. General information about being a doctoral student at the University of Gothenburg can be found on the university's doctoral student pages. https://www.gu.se/en
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involve the use of established methods such as density functional theory and molecular dynamics, as well as the development of machine-learning potentials and Hamiltonians for fast ion transport and
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NMR, 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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, 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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, quadrupolar nuclei, or two-dimensional NMR methods, is highly desirable. Experience with computational methods such as density functional theory calculations, geometry optimization, and prediction