Yihan Shao

65PUBLICATIONS
117CO-AUTHORS
Nonlinear optics and spectroscopyEvolutionary computationMain group metal chemistryTheoretical quantum chemistryPhotonics, optoelectronics and optical communications
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Publications (65)

|May 25, 2026
Ab Initio Polariton Spectra of ZnTPP Molecules Collectively Coupled Inside an Optical Cavity.

|Apr 17, 2026
A Computational Modeling of ADLumin Chemiluminescence: Oxygenation and Dioxetanone Formation.

|Mar 27, 2026
Nitric Oxide Insertion into a Metalloporphyrin-Carbon Bond.

Jennifer Londoño-Salazar, Guan Ye, Chance W Lander

|Mar 18, 2026
Enhancing Gaussian process regression-accelerated QM/MM free energy simulations using atomic environment descriptors.

Ryan Snyder, Dongru Li, Tinh Ho

|Mar 03, 2026
Towards a theoretical understanding of excitonic properties of phthalocyanine thin films. I. Low-temperature exciton absorption spectra.

Sanghita Sengupta, Zheng Pei, Chance Lander

|Oct 14, 2025
An extremely efficient algorithm for (2,2) dynamically weighted constrained complete active space calculations.

Junhan Chen, Xinchun Wu, Yihan Shao

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Frequent Collaborators

19 joint publications

Xiaoliang Pan

13 joint publications

Ye Mei

11 joint publications

Yuezhi Mao

10 joint publications

Jingzhi Pu