Publications by authors named "Sahar Sharifzadeh"

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I
Investigating Electron Conductivity Regimes in the Bacterial Cytochrome Wire OmcS.
Luke Nambi Mohanam, Rafael Umeda, Lei Gu, Yuanming Song, Douglas J Tobias, Sahar Sharifzadeh

J Phys Chem B· November 2025

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Mo Atom Rearrangement Drives Layer-Dependent Reactivity in Two-Dimensional MoS.
Zifan Wang, Jiaxuan Wen, Tina Mihm, Shaopeng Feng, Kelvin Huang, Sahar Sharifzadeh

J Am Chem Soc· September 2025

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Identifying Driving and Spectator Phonon Modes in Pentacene Exciton Transport.
Pauline G Lynch, Samson Baughman, Tina N Mihm, Sahar Sharifzadeh, Renee R Frontiera

J Am Chem Soc· July 2025

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Chemical Mapping of Nanoparticle-Ligand Interfaces in Optical Nanocavities.
Chloe E Groome, Hector Pascual-Herrero, Meagan E Hill, Zhe Wang, Mariia Stepanova, Sahar Sharifzadeh

J Am Chem Soc· June 2025

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Dynamic Electronic Structure Fluctuations in the De Novo Peptide ACC-Dimer Revealed by First-Principles Theory and Machine Learning.
Peter Mastracco, Luke Nambi Mohanam, Giacomo Nagaro, Sangram Prusty, Younghoon Oh, Sahar Sharifzadeh

J Chem Inf Model· March 2025

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E
Exciton polaron formation and hot-carrier relaxation in rigid Dion-Jacobson-type two-dimensional perovskites.
Somnath Biswas, Ruyan Zhao, Fatimah Alowa, Marios Zacharias, Sahar Sharifzadeh

Nat Mater· July 2024

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Electronic Couplings versus Thermal Fluctuations in the Internal Conversion of Perylene Diimides: The Battle to Localize the Exciton.
Nicolas Oldani, Victor M Freixas, Dianelys Ondarse-Alvarez, Sahar Sharifzadeh, Tammie Gibson

J Chem Theory Comput· July 2024

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Broken Symmetry Optical Transitions in (6,5) Single-Walled Carbon Nanotubes Containing Defects Revealed by First-Principles Theory.
Kasidet Jing Trerayapiwat, Xinxin Li, Xuedan Ma, Sahar Sharifzadeh

Nano Lett· January 2024

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Octopus-inspired deception and signaling systems from an exceptionally-stable acene variant.
Preeta Pratakshya, Chengyi Xu, David J Dibble, Aliya Mukazhanova, Panyiming Liu, Sahar Sharifzadeh

Nat Commun· December 2023

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NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations.
Victor M Freixas, Walter Malone, Xinyang Li, Huajing Song, Hassiel Negrin-Yuvero, Sahar Sharifzadeh

J Chem Theory Comput· August 2023

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Molecular Doping in the Organic Semiconductor Diindenoperylene: Insights from Many-Body Perturbation Theory.
Masoud Mansouri, Peter Koval, Sahar Sharifzadeh, Daniel Sánchez-Portal

J Phys Chem C Nanomater Interfaces· August 2023

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Long-lived electronic spin qubits in single-walled carbon nanotubes.
Jia-Shiang Chen, Kasidet Jing Trerayapiwat, Lei Sun, Matthew D Krzyaniak, Michael R Wasielewski, Sahar Sharifzadeh

Nat Commun· February 2023

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Phonon-Induced Localization of Excitons in Molecular Crystals from First Principles.
Antonios M Alvertis, Jonah B Haber, Edgar A Engel, Sahar Sharifzadeh, Jeffrey B Neaton

Phys Rev Lett· February 2023

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Electronic Structure of de Novo Peptide ACC-Hex from First Principles.
D Kirk Lewis, Younghoon Oh, Luke Nambi Mohanam, Michał Wierzbicki, Nicole L Ing, Sahar Sharifzadeh

J Phys Chem B· June 2022

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Vibronic Photoexcitation Dynamics of Perylene Diimide: Computational Insights.
Hassiel Negrin-Yuvero, Aliya Mukazhanova, Victor M Freixas, Sergei Tretiak, Sahar Sharifzadeh

J Phys Chem A· February 2022

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Electronic Raman scattering in the 2D antiferromagnet NiPS.
Xingzhi Wang, Jun Cao, Hua Li, Zhengguang Lu, Arielle Cohen, Sahar Sharifzadeh

Sci Adv· January 2022

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Spin-induced linear polarization of photoluminescence in antiferromagnetic van der Waals crystals.
Xingzhi Wang, Jun Cao, Zhengguang Lu, Arielle Cohen, Hikari Kitadai, Sahar Sharifzadeh

Nat Mater· July 2021

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Exciton-Phonon Interactions in Monolayer Germanium Selenide from First Principles.
Tianlun Allan Huang, Marios Zacharias, D Kirk Lewis, Feliciano Giustino, Sahar Sharifzadeh

J Phys Chem Lett· April 2021

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-Functionalization of Single-Walled Carbon Nanotubes Creates Localized Spins.
Sven-Hendrik Lohmann, Kasidet Jing Trerayapiwat, Jens Niklas, Oleg G Poluektov, Sahar Sharifzadeh

ACS Nano· December 2020

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Photoexcitation dynamics in perylene diimide dimers.
Aliya Mukazhanova, Walter Malone, Hassiel Negrin-Yuvero, Sebastian Fernandez-Alberti, Sergei Tretiak, Sahar Sharifzadeh

J Chem Phys· December 2020

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Microscopic Theory of Plasmons in Substrate-Supported Borophene.
Anubhab Haldar, Cristian L Cortes, Pierre Darancet, Sahar Sharifzadeh

Nano Lett· May 2020

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Accurate First-Principles Calculation of the Vibronic Spectrum of Stacked Perylene Tetracarboxylic Acid Diimides.
Aliya Mukazhanova, Kasidet Jing Trerayapiwat, Amir Mazaheripour, Austin G Wardrip, Nathan C Frey, Sahar Sharifzadeh

J Phys Chem A· April 2020

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Assessing the Role of Intermolecular Interactions in a Perylene-Based Nanowire Using First-Principles Many-Body Perturbation Theory.
Tianlun Huang, D Kirk Lewis, Sahar Sharifzadeh

J Phys Chem Lett· June 2019

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Many-body perturbation theory for understanding optical excitations in organic molecules and solids.
Sahar Sharifzadeh

J Phys Condens Matter· April 2018

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Low-lying excited states in crystalline perylene.
Tonatiuh Rangel, Andre Rinn, Sahar Sharifzadeh, Felipe H da Jornada, André Pick

Proc Natl Acad Sci U S A· January 2018

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