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The Journal of Physical Chemistry Letters|April 29, 2025
Disentangling Morphology and Conductance in Amorphous GrapheneNicolas Gastellu, Ata Madanchi, Lena Simine
The Journal of Chemical Physics|February 20, 2026
MAPping dynamic heterogeneity in supercooled glass-formersAta Madanchi, Lena Simine
The Journal of Physical Chemistry Letters|January 13, 2022
Electronic Conduction through Monolayer Amorphous Carbon NanojunctionsNicolas Gastellu, Michael Kilgour, Lena Simine
The Journal of Physical Chemistry Letters|January 25, 2022
Optoelectronic Current through Unbiased Monolayer Amorphous Carbon NanojunctionsAntonio J Garzón-Ramírez, Nicolas Gastellu, Lena Simine
The Journal of Chemical Physics|January 8, 2024
Simulations of disordered matter in 3D with the morphological autoregressive protocol (MAP) and convolutional neural networksAta Madanchi, Michael Kilgour, Frederik Zysk, et al.
ACS Physical Chemistry Au|January 27, 2025
Is the Future of Materials Amorphous? Challenges and Opportunities in Simulations of Amorphous MaterialsAta Madanchi, Emna Azek, Karim Zongo, et al.
The Journal of Physical Chemistry Letters|September 24, 2020
Generating Multiscale Amorphous Molecular Structures Using Deep Learning: A Study in 2DMichael Kilgour, Nicolas Gastellu, David Y T Hui, et al.
The Journal of Chemical Physics|June 14, 2013
Path-integral simulations with fermionic and bosonic reservoirs: transport and dissipation in molecular electronic junctionsLena Simine, Dvira Segal
The Journal of Chemical Physics|March 22, 2023
Solving the Wigner equation for chemically relevant scenarios: Dynamics in 2DYu Wang, Lena Simine
The Journal of Chemical Physics|July 10, 2014
Electron transport in nanoscale junctions with local anharmonic modesLena Simine, Dvira Segal
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