Haoyu S. Yu

3.1k total citations · 2 hit papers
23 papers, 2.3k citations indexed

About

Haoyu S. Yu is a scholar working on Materials Chemistry, Atomic and Molecular Physics, and Optics and Computational Theory and Mathematics. According to data from OpenAlex, Haoyu S. Yu has authored 23 papers receiving a total of 2.3k indexed citations (citations by other indexed papers that have themselves been cited), including 12 papers in Materials Chemistry, 9 papers in Atomic and Molecular Physics, and Optics and 8 papers in Computational Theory and Mathematics. Recurrent topics in Haoyu S. Yu's work include Machine Learning in Materials Science (10 papers), Computational Drug Discovery Methods (8 papers) and Advanced Chemical Physics Studies (8 papers). Haoyu S. Yu is often cited by papers focused on Machine Learning in Materials Science (10 papers), Computational Drug Discovery Methods (8 papers) and Advanced Chemical Physics Studies (8 papers). Haoyu S. Yu collaborates with scholars based in United States, China and Germany. Haoyu S. Yu's co-authors include Donald G. Truhlar, Xiao He, Shaohong Li, Xinsheng Jin, Ying Wang, Lingle Wang, Pragya Verma, Wenjing Zhang, Mark A. Watson and Robert Abel and has published in prestigious journals such as Proceedings of the National Academy of Sciences, Angewandte Chemie International Edition and The Journal of Chemical Physics.

In The Last Decade

Haoyu S. Yu

23 papers receiving 2.3k citations

Hit Papers

align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

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

2016 1.0k citations Haoyu S. Yu, Xiao He et al. profile →
MN15-L: A New Local Exchange-Correlation Functional for Kohn–Sham Density Functional Theory with Broad Accuracy for Atoms, Molecules, and Solids

2016 391 citations Haoyu S. Yu, Xiao He et al. Journal of Chemical Theory and Computation profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name	h						Papers	Cites
Haoyu S. Yu United States	17	909	860	678	438	286	23	2.3k
Rustam Z. Khaliullin Canada	23	916 1.0×	1.1k 1.3×	555 0.8×	373 0.9×	489 1.7×	52	2.4k
Nathan J. DeYonker United States	27	948 1.0×	1.3k 1.5×	1.1k 1.6×	652 1.5×	259 0.9×	95	2.9k
Hrant P. Hratchian United States	25	898 1.0×	866 1.0×	1.2k 1.8×	577 1.3×	471 1.6×	66	3.2k
Benjamin P. Pritchard United States	12	789 0.9×	633 0.7×	511 0.8×	389 0.9×	311 1.1×	15	2.1k
Doaa Altarawy United States	7	670 0.7×	583 0.7×	445 0.7×	358 0.8×	279 1.0×	11	1.9k
Asim Najibi Australia	5	706 0.8×	760 0.9×	454 0.7×	246 0.6×	343 1.2×	5	1.8k
Dimitrios G. Liakos Germany	18	1.0k 1.1×	1.5k 1.8×	871 1.3×	618 1.4×	543 1.9×	29	3.1k
Lisong Sun China	6	850 0.9×	1.0k 1.2×	825 1.2×	769 1.8×	478 1.7×	7	2.8k
Jan‐Michael Mewes Germany	23	1.0k 1.1×	762 0.9×	901 1.3×	393 0.9×	579 2.0×	54	2.7k
Paul Fleurat‐Lessard France	31	761 0.8×	952 1.1×	829 1.2×	371 0.8×	126 0.4×	105	2.9k

Countries citing papers authored by Haoyu S. Yu

Since Specialization

Citations

This map shows the geographic impact of Haoyu S. Yu's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Haoyu S. Yu with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Haoyu S. Yu more than expected).

Fields of papers citing papers by Haoyu S. Yu

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Haoyu S. Yu. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Haoyu S. Yu. The network helps show where Haoyu S. Yu may publish in the future.

Co-authorship network of co-authors of Haoyu S. Yu

This figure shows the co-authorship network connecting the top 25 collaborators of Haoyu S. Yu. A scholar is included among the top collaborators of Haoyu S. Yu based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Haoyu S. Yu. Haoyu S. Yu is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

Ghoreishi, Delaram, Wolfgang Damm, Edward Harder, et al.. (2020). Advancing Free-Energy Calculations of Metalloenzymes in Drug Discovery via Implementation of LFMM Potentials. Journal of Chemical Theory and Computation. 16(11). 6926–6937. 8 indexed citations

Paulsen, Janet L., Haoyu S. Yu, Dan Sindhikara, et al.. (2020). Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. Journal of Chemical Information and Modeling. 60(7). 3489–3498. 14 indexed citations

Levine, Daniel S., Mark A. Watson, Leif D. Jacobson, et al.. (2020). Pattern-free generation and quantum mechanical scoring of ring-chain tautomers. Journal of Computer-Aided Molecular Design. 35(4). 417–431. 4 indexed citations

Yu, Haoyu S., et al.. (2020). General Theory of Fragment Linking in Molecular Design: Why Fragment Linking Rarely Succeeds and How to Improve Outcomes. Journal of Chemical Theory and Computation. 17(1). 450–462. 22 indexed citations

Yu, Haoyu S., Cen Gao, Dmitry Lupyan, et al.. (2019). Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics. Journal of Chemical Information and Modeling. 59(9). 3955–3967. 29 indexed citations

Zhang, Wei, Oscar Vilches, Wei-Guang Liu, et al.. (2019). Heats of Adsorption of N₂, CO, Ar, and CH₄ versus Coverage on the Zr-Based MOF NU-1000: Measurements and DFT Calculations. The Journal of Physical Chemistry C. 123(11). 6586–6591. 10 indexed citations

Watson, Mark A., Haoyu S. Yu, & Arteum D. Bochevarov. (2019). Generation of Tautomers Using Micro-pK_a’s. Journal of Chemical Information and Modeling. 59(6). 2672–2689. 9 indexed citations

Hu, Shu‐Xian, Wan‐Lu Li, Jun‐Bo Lu, et al.. (2018). Über Oxidationszahl‐Obergrenzen in der Chemie. Angewandte Chemie. 130(12). 3297–3300. 15 indexed citations

Hu, Shu‐Xian, Wan‐Lu Li, Jun‐Bo Lu, et al.. (2018). On the Upper Limits of Oxidation States in Chemistry. Angewandte Chemie International Edition. 57(12). 3242–3245. 55 indexed citations

10.

Oliveira, César de, Haoyu S. Yu, Wei Chen, Robert Abel, & Lingle Wang. (2018). Rigorous Free Energy Perturbation Approach to Estimating Relative Binding Affinities between Ligands with Multiple Protonation and Tautomeric States. Journal of Chemical Theory and Computation. 15(1). 424–435. 42 indexed citations

11.

Yu, Haoyu S., Mark A. Watson, & Arteum D. Bochevarov. (2018). Weighted Averaging Scheme and Local Atomic Descriptor for pK_a Prediction Based on Density Functional Theory. Journal of Chemical Information and Modeling. 58(2). 271–286. 38 indexed citations

12.

Philipp, Dean M., Mark A. Watson, Haoyu S. Yu, Thomas Steinbrecher, & Arteum D. Bochevarov. (2017). Quantum chemical prediction for complex organic molecules. International Journal of Quantum Chemistry. 118(12). 23 indexed citations

13.

Yu, Haoyu S., Yuqing Deng, Yujie Wu, et al.. (2017). Accurate and Reliable Prediction of the Binding Affinities of Macrocycles to Their Protein Targets. Journal of Chemical Theory and Computation. 13(12). 6290–6300. 41 indexed citations

14.

Wang, Ying, Xinsheng Jin, Haoyu S. Yu, Donald G. Truhlar, & Xiao He. (2017). Revised M06-L functional for improved accuracy on chemical reaction barrier heights, noncovalent interactions, and solid-state physics. Proceedings of the National Academy of Sciences. 114(32). 8487–8492. 171 indexed citations

15.

Yu, Haoyu S. & Donald G. Truhlar. (2016). Oxidation State 10 Exists. Angewandte Chemie. 128(31). 9150–9152. 16 indexed citations

16.

Yu, Haoyu S. & Donald G. Truhlar. (2016). Oxidation State 10 Exists. Angewandte Chemie International Edition. 55(31). 9004–9006. 37 indexed citations

17.

Zhang, Wei, Charles T. Campbell, Haoyu S. Yu, et al.. (2016). Calcium Vapor Adsorption on the Metal–Organic Framework NU-1000: Structure and Energetics. The Journal of Physical Chemistry C. 120(30). 16850–16862. 17 indexed citations

18.

Yu, Haoyu S., Xiao He, & Donald G. Truhlar. (2016). MN15-L: A New Local Exchange-Correlation Functional for Kohn–Sham Density Functional Theory with Broad Accuracy for Atoms, Molecules, and Solids. Journal of Chemical Theory and Computation. 12(3). 1280–1293. 391 indexed citations breakdown →

19.

Yu, Haoyu S., Wenjing Zhang, Pragya Verma, Xiao He, & Donald G. Truhlar. (2015). Nonseparable exchange–correlation functional for molecules, including homogeneous catalysis involving transition metals. Physical Chemistry Chemical Physics. 17(18). 12146–12160. 110 indexed citations

20.

Bao, Junwei Lucas, Haoyu S. Yu, Kaining Duanmu, et al.. (2015). Density Functional Theory of the Water Splitting Reaction on Fe(0): Comparison of Local and Nonlocal Correlation Functionals. ACS Catalysis. 5(4). 2070–2080. 28 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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