Sort by
Refine Your Search
-
Listed
-
Category
-
Country
-
Program
-
Field
-
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
-
-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
-
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
-
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
-
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
-
, quadrupolar nuclei, or two-dimensional NMR methods, is highly desirable. Experience with computational methods such as density functional theory calculations, geometry optimization, and prediction
-
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
-
. Those range from Molecular Dynamics to Quantum Mechanical calculations such as Density Functional Theory (DFT). The resulting leads can be tested in vitro (in the lab), avoiding direct screening of ultra