Theoretical prediction of closed-shell paramagnetism for scandium and yttrium hydride. - Laura Grazioli; Luca T. Schleicher; Stella Stopkowicz; Jürgen Gauss (J. Comput. Chem., 2024)

Constrained dynamics for searching saddle points on general Riemannian manifolds. - Yukuan Hu; Laura Grazioli (CoRR, 2026)