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Employment (1)

The Ohio State University: Columbus, Ohio, US

2013-08 to 2019-08 (Chemistry and Biochemistry)
Employment
Source: Self-asserted source
Kuan-Yu Liu

Works (7)

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

Journal of Chemical Theory and Computation
2020-01-14 | Journal article
DOI: 10.1021/acs.jctc.9b01095
Contributors: Kuan-Yu Liu; John M. Herbert
Source: check_circle
Crossref

Self-consistent charge embedding at very low cost, with application to symmetry-adapted perturbation theory

The Journal of Chemical Physics
2019-07-21 | Journal article
DOI: 10.1063/1.5111869
Contributors: Kuan-Yu Liu; Kevin Carter-Fenk; John M. Herbert
Source: check_circle
Crossref

Variational Formulation of the Generalized Many-Body Expansion with Self-Consistent Charge Embedding: Simple and Correct Analytic Energy Gradient for Fragment-Based ab Initio Molecular Dynamics

The Journal of Physical Chemistry Letters
2019-07-18 | Journal article
DOI: 10.1021/acs.jpclett.9b01214
Contributors: Jie Liu; Bhaskar Rana; Kuan-Yu Liu; John M. Herbert
Source: check_circle
Crossref

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

The Journal of Physical Chemistry Letters
2019-06-06 | Journal article
DOI: 10.1021/acs.jpclett.9b01156
Part of ISSN: 1948-7185
Part of ISSN: 1948-7185
Contributors: Kevin Carter-Fenk; Ka Un Lao; Kuan-Yu Liu; John M. Herbert
Source: Self-asserted source
Kuan-Yu Liu

Understanding the many-body expansion for large systems. III. Critical role of four-body terms, counterpoise corrections, and cutoffs

The Journal of Chemical Physics
2017-10-28 | Journal article
DOI: 10.1063/1.4986110
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Contributors: Kuan-Yu Liu; John M. Herbert
Source: Self-asserted source
Kuan-Yu Liu

Accuracy of finite‐difference harmonic frequencies in density functional theory

Journal of Computational Chemistry
2017-07-15 | Journal article
DOI: 10.1002/jcc.24811
Part of ISSN: 0192-8651
Part of ISSN: 1096-987X
Contributors: Kuan‐Yu Liu; Jie Liu; John M. Herbert
Source: Self-asserted source
Kuan-Yu Liu

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

The Journal of Chemical Physics
2016-04-28 | Journal article
DOI: 10.1063/1.4947087
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Contributors: Ka Un Lao; Kuan-Yu Liu; Ryan M. Richard; John M. Herbert
Source: Self-asserted source
Kuan-Yu Liu
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