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PhD position in DFT development (DTU Energy, Den ... (No replies)

pdesilva
2 years ago
pdesilva 2 years ago

We invite applications for a PhD scholarship in the development of electronic structure methods for simulations of materials for energy technologies, e.g., batteries, Power-to-X, solar cells.

You will develop, implement, validate, and apply new computational methods and algorithms for electronic structure calculations of materials. The project will be defined in the general framework of density functional theory (DFT). The intended application area is versatile atomistic simulations of energy materials in the solid, liquid, and gaseous phases.

Supervisors: Assoc. Prof. Piotr de Silva and Prof. Juan Maria García Lastra

Location: DTU Energy (www.energy.dtu.dk/english), Denmark

For further details and to apply, see: https://www.dtu.dk/english/about/job-and-career/vacant-positions/job?id=3da88db8-4263-4473-91db-85aa24f8c28f

Application deadline: 27 May 2022




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Ab initio (from electronic structure) calculation of complex processes in materials