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The Journal of Chemical Physics|August 12, 2017
Free energy landscape and molecular pathways of gas hydrate nucleationYuanfei Bi, Anna Porras, Tianshu Li
Journal of Colloid and Interface Science|April 8, 2026
Regulating dopant depth in nitrogen-doped biphenylene nanoribbons for efficient oxygen reduction reactionTianshu Li, Hu Shi, Baotao Kang
Nature Communications|May 18, 2017
Enhanced heterogeneous ice nucleation by special surface geometryYuanfei Bi, Boxiao Cao, Tianshu Li
Chemistry of Materials : a Publication of the American Chemical Society|January 19, 2026
Data-Driven Crystal Structure Prediction for Ternary Metal ChalcogenidesTianshu Li, Hyunsoo Park, Aron Walsh
Physical Review Letters|March 26, 2013
Hamiltonian adaptive resolution simulation for molecular liquidsRaffaello Potestio, Sebastian Fritsch, Pep Español, et al.
The Journal of Physical Chemistry. A|October 27, 2020
Bathochromic Shift in the UV-Visible Absorption Spectra of Phenols at Ice Surfaces: Insights from First-Principles CalculationsFernanda C Bononi, Zekun Chen, Dario Rocca, et al.
The Journal of Chemical Physics|April 14, 2025
Revealing the photochemical pathways of nitrate in water through first-principles simulationsKam-Tung Chan, Margaret L Berrens, Zekun Chen, et al.
JACS Au|March 28, 2025
Molecular Fingerprints of Ice Surfaces in Sum Frequency Generation Spectra: A First-Principles Machine Learning StudyMargaret L Berrens, Marcos F Calegari Andrade, John T Fourkas, et al.
Frontiers in Psychology|June 5, 2015
The wheelchair as a full-body tool extending the peripersonal spaceGiulia Galli, Jean Paul Noel, Elisa Canzoneri, et al.
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