Overview: An algorithm is a step-by-step set of instructions that takes an input and produces a clear output, just like a ...

We present a tensor-structured algorithm for efficient large-scale density functional theory (DFT) calculations by constructing a Tucker tensor basis that is adapted to the Kohn–Sham Hamiltonian and ...

Causal discovery with prior knowledge is important for improving performance. We consider the incorporation of marginal causal relations, which correspond to the presence or absence of directed paths ...