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The Journal of Physical Chemistry Letters|November 3, 2025
A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling VectorsJakub Martinka, Lina Zhang, Yi-Fan Hou, et al.
The Journal of Physical Chemistry. A|December 17, 2024
Spectroscopy and Excited-State Dynamics of Methyl Ferulate in Molecular BeamsIvan Romanov, Yorrick Boeije, Josene M Toldo, et al.
FEBS Letters|September 1, 2009
Epinephrine-induced hyperpolarization of pancreatic islet cells is sensitive to PI3K-PDK1 signalingYing Zhang, Ekaterina Shumilina, Hans-Ulrich Häring, et al.
Npj Computational Materials|May 16, 2025
Charting electronic-state manifolds across molecules with multi-state learning and gap-driven dynamics via efficient and robust active learningMikołaj Martyka, Lina Zhang, Fuchun Ge, et al.
Physical Chemistry Chemical Physics : PCCP|June 15, 2022
Correction: Modeling the heating and cooling of a chromophore after photoexcitationElizete Ventura, Silmar Andrade do Monte, Mariana T do Casal, et al.
Topics in Current Chemistry (Cham)|June 8, 2021
MLatom 2: An Integrative Platform for Atomistic Machine LearningPavlo O Dral, Fuchun Ge, Bao-Xin Xue, et al.
Physical Chemistry Chemical Physics : PCCP|April 6, 2022
Modeling the heating and cooling of a chromophore after photoexcitationElizete Ventura, Silmar Andrade do Monte, Mariana T do Casal, et al.
Journal of Chemical Theory and Computation|November 11, 2025
MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping DynamicsMatheus de Oliveira Bispo, Rafael Souza Mattos, Max Pinheiro, et al.
Journal of the American Chemical Society|September 20, 2017
Multiphoton Activation of Photo-Strain-Promoted Azide Alkyne Cycloaddition "Click" Reagents Enables in Situ Labeling with Submicrometer ResolutionChristopher D McNitt, Hazel Cheng, Susanne Ullrich, et al.
The Journal of Chemical Physics|February 20, 2021
Ultrafast transient absorption spectroscopy of the photodecarbonylation of photo-oxadibenzocyclooctyne (photo-ODIBO)Learnmore Shenje, William Thompson, Zichun Ren, et al.
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