Kuan‐Yu Liu

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

Natural Sciences, Chemistry, Physics +17

Understanding the many-body expansion for large systems. II. Accuracy considerations

Ka Un Lao, Kuan‐Yu Liu, Ryan M. Richard et al. · The Journal of Chemical Physics · 2016 · 106 citations · Full text

Natural Sciences, Chemistry, Physics +14

The persistent shadow of the supermassive black hole of M 87

Kazunori Akiyama, A. Alberdi, W. Alef et al. · Astronomy and Astrophysics · 2024 · 88 citations · Full text

Natural Sciences, Astronomy, Physics +17

Accurate and Efficient <i>ab Initio</i> Calculations for Supramolecular Complexes: Symmetry-Adapted Perturbation Theory with Many-Body Dispersion

Kevin Carter-Fenk, Ka Un Lao, Kuan‐Yu Liu et al. · The Journal of Physical Chemistry Letters · 2019 · 82 citations · Full text

Natural Sciences, Chemistry, Physics +17

Energy-Screened Many-Body Expansion: A Practical Yet Accurate Fragmentation Method for Quantum Chemistry

Kuan‐Yu Liu, John M. Herbert · Journal of Chemical Theory and Computation · 2019 · 78 citations · Full text

Natural Sciences, Chemistry, Physics +12