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functional theory (DFT) are crucial computational tools to predict materials properties at the quantum level. In addition, electronic structure methods that go beyond the accuracy of DFT such as Quantum Monte
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Delft University of Technology (TU Delft) | Delft, Provincie Zuid-Holland | Netherlands | 14 days ago
PhD researcher, you will: Perform Density Functional Theory (DFT) calculations to model hydrogen-tramp element co-segregation at grain boundaries and phase boundaries Perform DFT to obtain atomistic
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key responsibilities will be to: perform first-principles/DFT studies of electrocatalytic reactions, catalyst surfaces and interfaces, reaction mechanisms, activity and selectivity develop
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): Condensed Matter Physics, Topology, Non-Hermitian Systems, Statistical Physics https://sites.google.com/view/moonjippark/home - Prof. Sunwoo Kim (Hanyang University): DMFT, DFT, Strongly Correlated Electron
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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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Sapienza Università di Roma - Dipartimento di Scienze di base e applicate per l'ingegneria | Roma, Lazio | Italy | 2 months ago
"Rational development of Deep Eutectic Solvents (DESs) for the selective extraction and recovery of critical metals and components from WEEE. The project integrates molecular design (descriptors, DFT
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Delft University of Technology (TU Delft) | Delft, Provincie Zuid-Holland | Netherlands | about 2 months ago
silicon. Your MD-based approach will elucidate how silicon disrupts copper wetting and diffusion. A central aspect of this project is the development of a Density Functional Theory (DFT)-accurate
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position, please contact Duy Le at [email protected]. Responsibilities: The Postdoctoral Associate’s Responsibilities include but are not limited to: Performing computational modeling using DFT, GC-DFT
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | about 7 hours ago
perform DFT calculations and develop methods to accelerate the design of defects in semiconductors. This position offers exciting opportunities to collaborate with experiment and theory groups
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computational materials science including DFT simulations using tools such as Quantum ESPRESSO, VASP, GPAW, CP2K or related packages. Research experience in at least two of the following areas: a) Spin