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control and quantum computations. Current research topics in the group include density functional theory calculations of atomic and molecular systems on surfaces, inclusion of electronic correlations
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measurements to identify and characterize these states, with experiments performed as a function of temperature and uniaxial stress. Density Functional Theory (DFT) calculations can complement the experimental
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, Ansys, Lumerical, or Sonnet Experience with electronic design automation (EDA) tools Experience working with ab-initio methods for materials simulation e.g. Density Functional Theory (DFT) Experience
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there are legal requirements, such as a license, certification, and/or registration. Additional Requirements Expertise in ab initio molecular dynamics, density functional theory and high-performance computing
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the thermal conductivity of high-entropy oxides. This will involve evaluating the architecture of available machine learning interatomic potentials, generating the training data using density functional theory
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. The project will start with the investigation of (Ga,Sn)Pd2 surfaces, using density functional theory, surface diffraction (experiments at SOLEIL). The project will take place at IJL. Funding category: Contrat
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Group provides a quantum-mechanical description (primarily via density functional theory, effective Hamiltonian methods, and machine-learning tools) of the unique properties of topological materials and
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& Mail Services-1014 Description of Work: Ranked as one of the Best Employers in Nebraska and certified as a Lincoln Family-Friendly workplace, the University of Nebraska-Lincoln is committed to providing
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Helmholtz-Zentrum Dresden-Rossendorf - HZDR - Helmholtz Association | Gorlitz, Sachsen | Germany | 11 days ago
# Completed university studies (PhD) in the field of Physic, Chemistry or a related field # Advanced and in-depth knowledge of electronic structure theory # Strong and highly developed expertise in density
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approaches based on density functional theory (DFT) have been introduced in recent years. A new research theme, "organometallic structures (MOFs)," has been introduced more recently, proposing the use