Jason M. Yu

TURBOMOLE: Modular program suite for <i>ab initio</i> quantum-chemical and condensed-matter simulations

Sree Ganesh Balasubramani, Guo P. Chen, Sonia Coriani et al. · The Journal of Chemical Physics · 2020 · 1.1K citations · Full text

Recent developments in the P<scp>y</scp>SCF program package

Qiming Sun, Xing Zhang, Samragni Banerjee et al. · The Journal of Chemical Physics · 2020 · 1K citations · Full text

Engineering, Machine Learning, Computational Chemistry +19

Synthesis and Magnetism of Neutral, Linear Metallocene Complexes of Terbium(II) and Dysprosium(II)

Colin A. Gould, K. Randall McClain, Jason M. Yu et al. · Journal of the American Chemical Society · 2019 · 287 citations

A 9.2-GHz clock transition in a Lu(II) molecular spin qubit arising from a 3,467-MHz hyperfine interaction

Krishnendu Kundu, Jessica R. K. White, Samuel A. Moehring et al. · Nature Chemistry · 2022 · 95 citations · Full text

Quantum Science, Engineering, Quantum Computing +8

Electronic structure of bulk manganese oxide and nickel oxide from coupled cluster theory

Yang Gao, Qiming Sun, Jason M. Yu et al. · Physical review. B./Physical review. B · 2020 · 49 citations · Full text