-
properties of Li-rich three-dimensional materials for lithium battery cathodes using density functional theory (DFT), molecular dynamics, cluster expansion, machine learning computational techniques. This work
-
density functional theory (DFT) Evidence of independent funding Downloading a copy of our Job Description Full details of the role and the skills, knowledge and experience required can be found in the Job
-
of enantiomeric excess. Experience in using/applying density functional theory (DFT) Evidence of independent funding Downloading a copy of our Job Description Full details of the role and the skills, knowledge and
-
. Experience in asymmetric synthesis and the determination of enantiomeric excess. 2. Experience in using/applying density functional theory (DFT) 3. Evidence of independent funding
-
the development of hierarchical computational materials discovery schemes combining random structure searching, machine learning, atomistic, and density functional theory (DFT) calculations to accurately and
-
(e.g., DFT modelling), or solid-state NMR spectroscopy. Excellent communication skills, a collaborative approach, and the ability to work independently are also key requirements for this position. A
-
(e.g., DFT modelling), or solid-state NMR spectroscopy. Excellent communication skills, a collaborative approach, and the ability to work independently are also key requirements for this position. A