Sort by
Refine Your Search
-
Category
-
Program
-
Field
-
. Creation of new functionalities: Design and implement new modules in both backend and frontend under the supervision of the senior team. Code quality (QA): Perform unit and integration testing to ensure
-
widely used by the academic community (about one thousand citations per year), and has been a flagship code of the MaX European Centre of Excellence for exascale computing in Materials Science (www.max
-
widely used by the academic community (about one thousand citations per year), and has been a flagship code of the MaX European Centre of Excellence for exascale computing in Materials Science (www.max
-
of Group/Project: We are building an optimisation-driven framework that makes AI models reliably operate advanced scientific software (e.g., DFT, Wannierisation, and quantum-transport codes) and (ii) uses
-
Calculations will be valued but it is not essential. · Previous knowledge of Density Functional Theory (DFT) and experience with DFT codes will be very highly valued. · Knowledge of chemical reactions and how
-
properties of high-entropy alloy (HEA) nanoparticles. The SIESTA code will be used to compute key descriptors such as formation energies, mixing enthalpies, adsorption energies, d-band centers, and work
-
/Project: We are building an optimisation-driven framework that (i) makes AI agents reliably operate advanced scientific software (e.g., DFT, Wannierisation, and quantum-transport codes) and (ii) uses
-
Computing. · Experience with High Throughput Calculations will be valued but it is not essential. · Previous knowledge of Density Functional Theory (DFT) and experience with DFT codes will be very highly
-
/Project: We are building an optimisation-driven framework that (i) makes AI agents reliably operate advanced scientific software (e.g., DFT, Wannierisation, and quantum-transport codes) and (ii) uses
-
(DFT) packages and in-house quantum transport codes. Fully converged simulations from established databases will serve as ground-truth benchmarks. In parallel, the same optimisation principles will be