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Nature|October 12, 2018
Electronic noise due to temperature differences in atomic-scale junctionsOfir Shein Lumbroso, Lena Simine, Abraham Nitzan, et al.
Journal of Chemical Information and Modeling|August 26, 2021
E2EDNA: Simulation Protocol for DNA Aptamers with LigandsMichael Kilgour, Tao Liu, Brandon D Walker, et al.
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.
Faraday Discussions|November 4, 2010
Water reorientation, hydrogen-bond dynamics and 2D-IR spectroscopy next to an extended hydrophobic surfaceGuillaume Stirnemann, Peter J Rossky, James T Hynes, et al.
Proceedings of the National Academy of Sciences of the United States of America|April 8, 2022
In situ optical spectroscopy of crystallization: One crystal nucleation at a timeOscar Urquidi, Johanna Brazard, Natalie LeMessurier, 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.
Journal of the American Chemical Society|November 25, 2010
Dependence of electrochemical and electrogenerated chemiluminescence properties on the structure of BODIPY dyes. Unusually large separation between sequential electron transfersAlexander B Nepomnyashchii, Sangik Cho, Peter J Rossky, et al.
Proceedings of the National Academy of Sciences of the United States of America|February 13, 2008
Hydrophobicity of protein surfaces: Separating geometry from chemistryNicolas Giovambattista, Carlos F Lopez, Peter J Rossky, 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 Chemical Physics|July 3, 2015
A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problemsKyle K G Smith, Jens Aage Poulsen, Gunnar Nyman, et al.
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