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"Buried interface molecular hybrid for inverted perovskite solar cells",
Nature 2024. in press https://doi.org/10.1038/s41586-024-07723-3
L. Wang. C Salguero, S.A. Lopez, J. Li
"Machine learning photodynamics uncover blocked non-radiative mechanisms in aggregation-induced emission",
Chem, 2024, 10, 1–16. https://doi.org/10.1016/j.chempr.2024.04.017
L. Wang, Z. Li, J. Li
"Balancing Wigner sampling and geometry interpolation for deep neural networks learning photochemical reactions",
Artificial Intelligence Chemistry, 2023, 1, 100018. https://www.sciencedirect.com/science/article/pii/S2949747723000180
J. Li, S. A. Lopez,
"Machine learning accelerated photodynamics simulations",
Chem. Phys. Rev. 2023, 4, 031309. https://pubs.aip.org/aip/cpr/article/4/3/031309/2911431/Machine-learning-accelerated-photodynamics
F. J. Hernandez, J. M. Cox, J. Li*, R. Crespo-Otero*, S. A. Lopez*,
"Multiconfigurational Calculations and Photodynamics Describe Norbornadiene Photochemistry",
J. Org. Chem. 2023, 88, 5311–5320. https://pubs.acs.org/doi/10.1021/acs.joc.2c02758
J. Li, S. A. Lopez,
“A Look Inside the Black Box of Machine Learning Photodynamics Simulations”,
Acc. Chem. Res., 2022, 55, 1972–1984. https://pubs.acs.org/doi/10.1021/acs.accounts.2c00288
J. Li, S. A. Lopez,
“Excited-state distortions promote the reactivities and regioselectivities of photochemical 4π-electrocyclizations of fluorobenzenes”,
Chem. A Eur J. 2022, 28, e202200651. https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/chem.202200651
J. Li, R. Stein, D. M. Adrion, S. A. Lopez,
“Machine-learning photodynamics simulations uncover the role of substituent effects on the photochemical formation of cubanes”,
J. Am. Chem. Soc. 2021, 143, 20166–20175. https://pubs.acs.org/doi/10.1021/jacs.1c07725
J. Li, P. Reiser, B. R. Boswell, A. Eberhard, N. Z. Burns, P. Frederich, S. A. Lopez,
“Automatic Discovery of Photoisomerization Mechanisms with Nanosecond Machine Learning Photodynamics Simulations”,
Chem. Sci., 2021, 12, 5302–5314. https://pubs.rsc.org/en/content/articlelanding/2021/sc/d0sc05610c
J. Li, R. Stein, S. A. Lopez,
“A Theoretical Stereoselectivity Model of Photochemical Denitrogenations of Diazoalkanes Toward Strained 1,3-Dihalogenated Bicyclobutanes”,
J. Org. Chem., 2021, 86, 4061–4070. https://pubs.acs.org/doi/10.1021/acs.joc.0c02905
Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics https://github.com/mlcclab/PyRAI2MD-hiam
