Yihan Shao

14.4k total citations · 2 hit papers
163 papers, 4.8k citations indexed

About

Yihan Shao is a scholar working on Atomic and Molecular Physics, and Optics, Molecular Biology and Materials Chemistry. According to data from OpenAlex, Yihan Shao has authored 163 papers receiving a total of 4.8k indexed citations (citations by other indexed papers that have themselves been cited), including 86 papers in Atomic and Molecular Physics, and Optics, 49 papers in Molecular Biology and 35 papers in Materials Chemistry. Recurrent topics in Yihan Shao's work include Spectroscopy and Quantum Chemical Studies (62 papers), Advanced Chemical Physics Studies (62 papers) and Protein Structure and Dynamics (26 papers). Yihan Shao is often cited by papers focused on Spectroscopy and Quantum Chemical Studies (62 papers), Advanced Chemical Physics Studies (62 papers) and Protein Structure and Dynamics (26 papers). Yihan Shao collaborates with scholars based in United States, China and United Kingdom. Yihan Shao's co-authors include Martin Head‐Gordon, Anna I. Krylov, Ye Mei, Jing Kong, Bernard R. Brooks, Yves Bernard, Robert A. DiStasio, Joseph E. Subotnik, Ryan P. Steele and Yuezhi Mao and has published in prestigious journals such as Science, Proceedings of the National Academy of Sciences and Journal of the American Chemical Society.

In The Last Decade

Yihan Shao

153 papers receiving 4.8k citations

Hit Papers

align trajectories sort by overperformance

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.

The spin–flip approach within time-dependent density functional theory: Theory and applications to diradicals

2003 584 citations Yihan Shao, Martin Head‐Gordon et al. The Journal of Chemical Physics profile →
Sulfenylnitrene-mediated nitrogen-atom insertion for late-stage skeletal editing of N -heterocycles

2025 36 citations Bidhan Ghosh, Kenneth M. Nicholas et al. profile →

Author Peers

Peers are selected by citation overlap in the author's most active subfields. citations · hero ref

Author						Papers	Cites
Yihan Shao	2.8k	1.3k	967	949	855	163	4.8k
Lyudmila V. Slipchenko	2.9k 1.0×	1.1k 0.8×	994 1.0×	1.2k 1.3×	1.0k 1.2×	94	4.8k
Philipp Marquetand	2.1k 0.8×	1.5k 1.1×	760 0.8×	1.2k 1.2×	517 0.6×	86	4.0k
Marat Valiev	2.3k 0.8×	1.5k 1.1×	1.0k 1.0×	810 0.9×	713 0.8×	74	5.5k
Lori A. Burns	2.0k 0.7×	1.4k 1.1×	488 0.5×	1.2k 1.3×	862 1.0×	39	4.2k
Narbe Mardirossian	2.2k 0.8×	1.9k 1.4×	477 0.5×	848 0.9×	671 0.8×	25	4.8k
Jiří Černý	2.1k 0.8×	1.0k 0.8×	1.3k 1.4×	1.3k 1.4×	678 0.8×	76	4.5k
Éric Cancès	2.1k 0.7×	883 0.7×	618 0.6×	1.2k 1.3×	644 0.8×	88	4.7k
Andrew C. Simmonett	1.9k 0.7×	1.0k 0.8×	1.7k 1.7×	713 0.8×	793 0.9×	64	4.6k
Tanja van Mourik	2.6k 0.9×	1.1k 0.8×	1.1k 1.1×	1.1k 1.2×	1.6k 1.8×	120	5.1k
Michal Pitoňák	2.5k 0.9×	1.7k 1.3×	728 0.8×	1.5k 1.6×	882 1.0×	50	4.8k

Countries citing papers authored by Yihan Shao

Since Specialization

Citations

This map shows the geographic impact of Yihan Shao'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 Yihan Shao with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Yihan Shao more than expected).

Fields of papers citing papers by Yihan Shao

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Yihan Shao. 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 Yihan Shao. The network helps show where Yihan Shao may publish in the future.

Co-authorship network of co-authors of Yihan Shao

This figure shows the co-authorship network connecting the top 25 collaborators of Yihan Shao. A scholar is included among the top collaborators of Yihan Shao 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 Yihan Shao. Yihan Shao 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

Pei, Zheng, Yu Zhang, G. T. Kasun Kalhara Gunasooriya, et al.. (2025). Toward an Understanding of Linear Scaling Relations through Energy Decomposition Analysis. JACS Au. 5(7). 3092–3103.

Subotnik, Joseph E., Zheng Pei, Yihan Shao, et al.. (2025). Revisiting the Discrepancy between Experimental and Theoretical Predictions of the Adiabaticity of Ti⁺ + CH₃OH. The Journal of Physical Chemistry A. 129(2). 596–606. 1 indexed citations

Yu, Jiaqi, et al.. (2025). Proton, Electron, and Hydrogen-Atom Transfer Thermodynamics of the Metal–Organic Framework, Ti-MIL-125, Are Intrinsically Correlated to the Structural Disorder. Journal of the American Chemical Society. 147(38). 34777–34790. 2 indexed citations

Yang, Junjie, et al.. (2024). Optical Emission Spectra of Molecular Excitonic Polariton Computed at the First‐Principles Level QED‐TDDFT. ChemPhotoChem. 8(12). 2 indexed citations

Ghosh, Bidhan, et al.. (2024). Catalytic Activation of Thioglycosides with Copper-Carbenes for Stereoselective 1,2-Cis-Furanosylations. Organic Letters. 26(44). 9436–9441. 3 indexed citations

Huang, Liangliang, et al.. (2024). Hydrogen Atom Binding Energy of Structurally Well-Defined Cerium Oxide Nodes at the Metal–Organic Framework–Liquid Interfaces. The Journal of Physical Chemistry C. 128(23). 9556–9565. 6 indexed citations

Tao, Zhen, et al.. (2024). A Phase-Space Electronic Hamiltonian For Vibrational Circular Dichroism. Journal of Chemical Theory and Computation. 9 indexed citations

Ding, Weihua, Richard Van, Liuyue Yang, et al.. (2023). In vivo three-dimensional brain imaging with chemiluminescence probes in Alzheimer’s disease models. Proceedings of the National Academy of Sciences. 120(50). e2310131120–e2310131120. 19 indexed citations

Van, Richard, Xiaoliang Pan, Ji Hwan Park, et al.. (2023). Machine learning based implicit solvent model for aqueous-solution alanine dipeptide molecular dynamics simulations. RSC Advances. 13(7). 4565–4577. 23 indexed citations

10.

Pan, Xiaoliang, et al.. (2023). Bridging semiempirical and ab initio QM/MM potentials by Gaussian process regression and its sparse variants for free energy simulation. The Journal of Chemical Physics. 159(5). 14 indexed citations

11.

Shao, Yihan, et al.. (2021). Plasmon-Induced CO₂ Conversion on Al@Cu₂O: A DFT Study. The Journal of Physical Chemistry C. 125(11). 6108–6115. 21 indexed citations

12.

Wang, Jianing, Wei Liu, Pengfei Li, et al.. (2021). Accelerated Computation of Free Energy Profile at Ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semiempirical Reference Potential. 4. Adaptive QM/MM. Journal of Chemical Theory and Computation. 17(3). 1318–1325. 19 indexed citations

13.

Haider, Ahmed, Zhiwei Xiao, Xiaotian Xia, et al.. (2021). Development of a triazolobenzodiazepine-based PET probe for subtype-selective vasopressin 1A receptor imaging. Pharmacological Research. 173. 105886–105886. 2 indexed citations

14.

Bellonzi, Nicole, Ethan Alguire, Shervin Fatehi, Yihan Shao, & Joseph E. Subotnik. (2020). TD-DFT spin-adiabats with analytic nonadiabatic derivative couplings. The Journal of Chemical Physics. 152(4). 44112–44112. 10 indexed citations

15.

Pei, Zheng, Junjie Yang, Yuezhi Mao, et al.. (2020). Analysis and visualization of energy densities. II. Insights from linear-response time-dependent density functional theory calculations. Physical Chemistry Chemical Physics. 22(46). 26852–26864. 12 indexed citations

16.

Phillips, Elizabeth H., Xiaoliang Pan, Enrico Benassi, et al.. (2019). Computational modeling of curcumin-based fluorescent probe molecules. Theoretical Chemistry Accounts. 138(2). 5 indexed citations

17.

Chen, Junbo, Yihan Shao, & Junming Ho. (2019). Are Explicit Solvent Models More Accurate than Implicit Solvent Models? A Case Study on the Menschutkin Reaction. The Journal of Physical Chemistry A. 123(26). 5580–5589. 30 indexed citations

18.

Li, Pengfei, Fengjiao Liu, Xiangyu Jia, et al.. (2018). Efficient Computation of Free Energy Surfaces of Diels–Alder Reactions in Explicit Solvent at Ab Initio QM/MM Level. Molecules. 23(10). 2487–2487. 9 indexed citations

19.

Mao, Yuezhi, Martin Head‐Gordon, & Yihan Shao. (2018). Unraveling substituent effects on frontier orbitals of conjugated molecules using an absolutely localized molecular orbital based analysis. Chemical Science. 9(45). 8598–8607. 60 indexed citations

20.

Huang, Jing, Ye Mei, Gerhard König, et al.. (2017). An Estimation of Hybrid Quantum Mechanical Molecular Mechanical Polarization Energies for Small Molecules Using Polarizable Force-Field Approaches. Journal of Chemical Theory and Computation. 13(2). 679–695. 17 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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