Publications by authors named "David A Strubbe"

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Computational and Experimental Investigation of Chiral and Achiral Two-Dimensional Organic Lead Bromide Perovskites: Octahedral Distortions and Electronic and Optical Properties.
Md Mehdi Masud, Jarek Viera, Azza Ben-Akacha, Biwu Ma, David A Strubbe

Chemphyschem· December 2025

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A substitutional quantum defect in WS discovered by high-throughput computational screening and fabricated by site-selective STM manipulation.
John C Thomas, Wei Chen, Yihuang Xiong, Bradford A Barker, Junze Zhou, David A Strubbe

Nat Commun· April 2024

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Panoply of Ni-Doping-Induced Reconstructions, Electronic Phases, and Ferroelectricity in 1T-MoS.
Rijan Karkee, David A Strubbe

J Phys Chem Lett· January 2024

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Enabling Oxidation Protection and Carrier-Type Switching for Bismuth Telluride Nanoribbons via Organic Molecule Coating.
Jun Beom Park, Wei Wu, Jason Yingzhi Wu, Rijan Karkee, Theresa Marie Kucinski, David A Strubbe

Nano Lett· December 2023

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One-dimensional organic metal halide nanoribbons with dual emission.
Sujin Lee, Rijan Karkee, Azza Ben-Akacha, Derek Luong, J S Raaj Vellore Winfred, David A Strubbe

Chem Commun (Camb)· March 2023

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Intercalation leads to inverse layer dependence of friction on chemically doped MoS.
Ogulcan Acikgoz, Enrique Guerrero, Alper Yanilmaz, Omur E Dagdeviren, Cem Çelebi, David A Strubbe

Nanotechnology· October 2022

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The CECAM electronic structure library and the modular software development paradigm.
Micael J T Oliveira, Nick Papior, Yann Pouillon, Volker Blum, Emilio Artacho, David A Strubbe

J Chem Phys· July 2020

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Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems.
Nicolas Tancogne-Dejean, Micael J T Oliveira, Xavier Andrade, Heiko Appel, Carlos H Borca, David A Strubbe

J Chem Phys· March 2020

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Thermodynamic limits to energy conversion in solar thermal fuels.
David A Strubbe, Jeffrey C Grossman

J Phys Condens Matter· January 2019

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Time-dependent density-functional theory in massively parallel computer architectures: the OCTOPUS project.
Xavier Andrade, Joseba Alberdi-Rodriguez, David A Strubbe, Micael J T Oliveira, Fernando Nogueira

J Phys Condens Matter· June 2012

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Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids.
Fernando D Vila, David A Strubbe, Yoshinari Takimoto, Xavier Andrade, Angel Rubio

J Chem Phys· July 2010

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Determination of photoswitching dynamics through chiral mapping of single molecules using a scanning tunneling microscope.
Matthew J Comstock, David A Strubbe, Luis Berbil-Bautista, Niv Levy, Jongweon Cho

Phys Rev Lett· April 2010

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Reversible photomechanical switching of individual engineered molecules at a metallic surface.
Matthew J Comstock, Niv Levy, Armen Kirakosian, Jongweon Cho, Frank Lauterwasser, David A Strubbe

Phys Rev Lett· July 2007

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