Sort by
Refine Your Search
-
Listed
-
Category
-
Country
-
Program
-
Field
-
of residuals at the atomic scale and how they interact with other alloy additions, with migrating and transforming boundaries. This grant will bring together atomistic modelling (at Imperial College), atomic
-
, particularly machine-learned interatomic potentials, in the context of chemical research. Knowledge of atomistic and coarse-grained classical force fields. Experience creating and maintaining scientific software
-
atomistic simulation methods, such as molecular dynamics, density functional theory, and machine-learning force fields, to elucidate the deformation mechanisms activated by external stimuli. The candidate
-
) with DFT atomistic simulations to investigate the electronic structure and defect states in wide bandgap semiconductor nanomaterials. The goal is to better understand and optimize function
-
vibrations), and structural (migration of atoms) effects with an atomistic resolution. This can be achieved by self-consistently coupling molecular dynamics (MD), density-functional theory (DFT), and quantum
-
will focus on the atomistic simulation of mineral oxide/liquid water interfaces that are of relevance to solar fuel production, decontamination of soil and geochemical transformations. The simulations
-
SD- 26053 PHD IN ULTRA-FAST MACHINE-LEARNING INTERATOMIC POTENTIALS FOR NANOINDENTATION OF TIC MA...
Temporary contract | 14 + 22 + 14 months | Belvaux Are you fascinated by data-driven atomistic simulations for materials science? So are we! Come and join us. We seek a highly motivated and capable
-
practices. Preferred Knowledge, Skills, and Abilities: You have experience with electronic-structure or atomistic simulation workflows (e.g., VASP, Quantum ESPRESSO) and associated Python tools such as ASE
-
to grant writings. Further information on the Quantum Device Modelling group can be found: http://www.warwick.ac.uk/nanolab . Flexible Working We will consider applications for employment on a part-time or
-
effects on the particle and sub-particle level into hierarchical pseudo-2D descriptions of batteries Link continuum descriptions to quantum computing accelerated atomistic approaches in an interdisciplinary