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ResearcherID: C-6506-2015

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DFT

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China

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Employment (1)

Univerisity of Minnesota: Minneapolis, MN, US

2013-01-01 to present | RA (Chemistry)
Employment
Source: Self-asserted source
Haoyu Yu

Education and qualifications (2)

University of Minnesota System: Minneapolis, MN, US

2011-09-01 to present | PhD (Chemistry)
Education
Source: Self-asserted source
Haoyu Yu

Beijing Normal University: Beijing, Beijing, CN

2007-09-01 to 2011-05-30 | Bachelor (Chemistry )
Education
Source: Self-asserted source
Haoyu Yu

Works (13)

General Theory of Fragment Linking in Molecular Design: Why Fragment Linking Rarely Succeeds and How to Improve Outcomes

Journal of Chemical Theory and Computation
2021-01-12 | Journal article
DOI: 10.1021/acs.jctc.0c01004
Contributors: Haoyu S. Yu; Kalyan Modugula; Osamu Ichihara; Kimberly Kramschuster; Simon Keng; Robert Abel; Lingle Wang
Source: check_circle
Crossref

Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery via Implementation of LFMM Potentials

Journal of Chemical Theory and Computation
2020-11-10 | Journal article
DOI: 10.1021/acs.jctc.0c00615
Contributors: Steven Dajnowicz; Delaram Ghoreishi; Kalyan Modugula; Wolfgang Damm; Edward D. Harder; Robert Abel; Lingle Wang; Haoyu S. Yu
Source: check_circle
Crossref

MN15: A Kohn–Sham global-hybrid exchange–correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions

Chemical Science
2016 | Journal article
DOI: 10.1039/C6SC00705H
Contributors: Haoyu S. Yu; Xiao He; Shaohong L. Li; Donald G. Truhlar
Source: check_circle
Crossref

Perspective: Kohn-Sham density functional theory descending a staircase

The Journal of Chemical Physics
2016-10-07 | Journal article
DOI: 10.1063/1.4963168
Contributors: Haoyu S. Yu; Shaohong L. Li; Donald G. Truhlar
Source: check_circle
Crossref

Oxidation State 10 Exists

Angewandte Chemie International Edition
2016-07-25 | Journal article
DOI: 10.1002/anie.201604670
Contributors: Haoyu S. Yu; Donald G. Truhlar
Source: check_circle
Crossref

Oxidation State 10 Exists

Angewandte Chemie
2016-07-25 | Journal article
DOI: 10.1002/ange.201604670
Contributors: Haoyu S. Yu; Donald G. Truhlar
Source: check_circle
Crossref

Nonseparable exchange–correlation functional for molecules, including homogeneous catalysis involving transition metals

Physical Chemistry Chemical Physics
2015 | Journal article
DOI: 10.1039/C5CP01425E
Contributors: Haoyu S. Yu; Wenjing Zhang; Pragya Verma; Xiao He; Donald G. Truhlar
Source: check_circle
Crossref

Components of the bond energy in polar diatomic molecules, radicals, and ions formed by group-1 and group-2 metal atoms

Journal of Chemical Theory and Computational
2015-05-26 | Journal article
Source: Self-asserted source
Haoyu Yu

Nonseparable exchange–correlation functional for molecules, including homogeneous catalysis involving transition metals

Phys Chem Chem Phys
2015-03-11 | Journal article
Source: Self-asserted source
Haoyu Yu

Density Functional Theory of the Water Splitting Reaction on Fe (0): Comparison of Local and Nonlocal Correlation Functionals

ACS Catalysis
2015-02-02 | Journal article
Source: Self-asserted source
Haoyu Yu

What Dominates the Error in the Bond Energy of CaO Predicted by Various Approximate Exchange-Correlation Functionals

Journal of Chemical Theory and Computation
2014-05-09 | Journal article
Contributors: Haoyu Yu
Source: Self-asserted source
Haoyu Yu

Water 26-mers Drawn from Bulk Simulations: Benchmark Binding Energies for Unprecedentedly Large Water Clusters and Assessment of the Electrostatically Embedded Three-Body and Pairwise Additive Approximations

Journal of Physical Chemistry Letters
2014-01-30 | Journal article
Contributors: Haoyu Yu
Source: Self-asserted source
Haoyu Yu

Preparation, characterization, and photoelectric properties of an electrostatically self-assembled Film based on tungstophosphoric acid and a binuclear Ru (II) complex

Journal of nanoscience and nanotechnology
2011-05 | Journal article
Contributors: Haoyu Yu
Source: Self-asserted source
Haoyu Yu

Peer review (3 reviews for 2 publications/grants)

Review activity for ACS omega. (2)
Review activity for Journal of chemical information and modeling. (1)
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