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cond-mat.mtrl-sci2024
Optimal design of experiments in the context of machine-learning inter-atomic potentials: improving the efficiency and transferability of kernel based methods
Bartosz Barzdajn, Christopher P. Race
Data-driven, machine learning (ML) models of atomistic interactions are often based on flexible and non-physical functions that can relate nuanced aspects of atomic arrangements in…
cond-mat.mtrl-sci2024
Molecular dynamics simulations of neutron induced collision cascades in Zr - statistical modelling of irradiation damage and potential applications
Bartosz Barzdajn, Christopher P Race
Understanding the nature of irradiation damage often requires a multi-scale and multi-physics approach, i.e. it requires a significant amount of information from experiments, simul…