affiliation not provided to SSRN
geometry optimization, molecular mechanics, multigrid, atomistic/continuum coupling, adaptivity
QM/MM coupling, Machine-learned interatomic potentials, A posteriori error estimate, Adaptive algorithm, Crystal defects
Multi-scale, DNN, Fourier, Subspace-decomposed, Activation function
Cohesive zone model, Fission gas bubbles, Interfacial fracture, UN-U3Si2 composite fuel, FEM simulation