Sort by
Refine Your Search
-
Category
-
Country
-
Employer
-
Field
-
machine-learning surrogate models capable of delivering near-DFT (density functional theory) accuracy in just a few CPU seconds per structure. This approach will enable the high-throughput screening of tens
-
vibrant research and development team, collaborating closely with our industry partners; Costain, National Highways, DfT and our spin-out, Didimi, and domain experts to contribute to the development of a
-
DFT modelling, are a plus. Project description and responsibilities The position entails the synthesis of new ruthenium-based photocages. You will be integrated in the MCBIM group (https
-
in inorganic synthesis and/or Schlenk-line preparations Experience with scientific programming (e.g., MATLAB, LabView) is advantageous Experience performing quantum chemistry computations (e.g., DFT
-
for the new green steels compositions, including impurities and tramp elements. These models should enable density-functional-theory (DFT) accurate large scale atomistic simulations of defects including