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The last 5 uploaded publications
Diabatic States of Molecules
Yinan Shu, Zoltán Varga, Siriluk Kanchanakungwankul, Linyao Zhang, Donald G Truhlar (2022). Diabatic States of Molecules. , 126(7), DOI: https://doi.org/10.1021/acs.jpca.1c10583.
Article13 days agoAutomated Learning of a Dense Manifold of Electronic States and Electronic Energy Transfer and Reactions in Singlet O Collisions with N2
Qinghui Meng, Yinan Shu, Zoltán Varga, Dayou Zhang, Donald G Truhlar (2025). Automated Learning of a Dense Manifold of Electronic States and Electronic Energy Transfer and Reactions in Singlet O Collisions with N2. , DOI: https://doi.org/10.26434/chemrxiv-2025-9bvmr.
Article13 days agoLearning Multiple Potential Energy Surfaces by Automated Discovery of a Compatible Representation
Yinan Shu, Zoltán Varga, Dayou Zhang, Qinghui Meng, Aiswarya M. Parameswaran, Jian‐Ge Zhou, Donald G Truhlar (2025). Learning Multiple Potential Energy Surfaces by Automated Discovery of a Compatible Representation. , 21(7), DOI: https://doi.org/10.1021/acs.jctc.5c00178.
Article13 days agoErratum: “Potential energy surface of triplet N2O2” [J. Chem. Phys. 144, 024310 (2016)]
Zoltán Varga, Rubén Meana‐Pañeda, Guoliang Song, Yuliya Paukku, Donald G Truhlar (2022). Erratum: “Potential energy surface of triplet N2O2” [J. Chem. Phys. 144, 024310 (2016)]. , 157 (23), DOI: https://doi.org/10.1063/5.0135726.
Corrigendum13 days agoDiabatic potential energy surfaces and semiclassical multi-state dynamics for fourteen coupled <sup>3</sup> A′ states of O<sub>3</sub>
Zoltán Varga, Yinan Shu, Jiaxin Ning, Donald G Truhlar (2022). Diabatic potential energy surfaces and semiclassical multi-state dynamics for fourteen coupled <sup>3</sup> A′ states of O<sub>3</sub>. , 4(4), DOI: https://doi.org/10.1088/2516-1075/ac94ac.
Article13 days ago