Akshay Krishna Ammothum Kandy

Elaboration of a neural-network interatomic potential for silica glass and melt

Comparing transferability in neural network approaches and linear models for machine-learning interaction potentials

Toward an efficient f-in-core/f-in-valence switchable description for DFTB calculations of Ce 4f states in ceria

Curvature constrained splines for DFTB repulsive potential parametrization

Linear models for multiscale materials simulations: Towards a seamless linking of electronic and atomistic models for complex metal oxides

CCS: A software framework to generate two-body potentials using Curvature Constrained Splines