Search Results - "Alvertis, Antonios M."

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  1. 1

    Switching between Coherent and Incoherent Singlet Fission via Solvent-Induced Symmetry Breaking by Alvertis, Antonios M, Lukman, Steven, Hele, Timothy J. H, Fuemmeler, Eric G, Feng, Jiaqi, Wu, Jishan, Greenham, Neil C, Chin, Alex W, Musser, Andrew J

    Published in Journal of the American Chemical Society (06-11-2019)
    “…Singlet fission in organic semiconductors causes a singlet exciton to decay into a pair of triplet excitons and holds potential for increasing the efficiency…”
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    A molecular movie of ultrafast singlet fission by Schnedermann, Christoph, Alvertis, Antonios M., Wende, Torsten, Lukman, Steven, Feng, Jiaqi, Schröder, Florian A. Y. N., Turban, David H. P., Wu, Jishan, Hine, Nicholas D. M., Greenham, Neil C., Chin, Alex W., Rao, Akshay, Kukura, Philipp, Musser, Andrew J.

    Published in Nature communications (16-09-2019)
    “…The complex dynamics of ultrafast photoinduced reactions are governed by their evolution along vibronically coupled potential energy surfaces. It is now often…”
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    Phonon-Induced Localization of Excitons in Molecular Crystals from First Principles by Alvertis, Antonios M, Haber, Jonah B, Engel, Edgar A, Sharifzadeh, Sahar, Neaton, Jeffrey B

    Published in Physical review letters (24-02-2023)
    “…The spatial extent of excitons in molecular systems underpins their photophysics and utility for optoelectronic applications. Phonons are reported to lead to…”
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    Influence of Electronic Correlations on Electron–Phonon Interactions of Molecular Systems with the GW and Coupled Cluster Methods by Alvertis, Antonios M., Williams-Young, David B., Bruneval, Fabien, Neaton, Jeffrey B.

    Published in Journal of chemical theory and computation (23-07-2024)
    “…Electron–phonon interactions are of great importance to a variety of physical phenomena, and their accurate description is an important goal for…”
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    Phonon screening and dissociation of excitons at finite temperatures from first principles by Alvertis, Antonios M, Haber, Jonah B, Li, Zhenglu, Coveney, Christopher J N, Louie, Steven G, Filip, Marina R, Neaton, Jeffrey B

    “…The properties of excitons, or correlated electron-hole pairs, are of paramount importance to optoelectronic applications of materials. A central component of…”
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    Decoupling excitons from high-frequency vibrations in organic molecules by Ghosh, Pratyush, Alvertis, Antonios M., Chowdhury, Rituparno, Murto, Petri, Gillett, Alexander J., Dong, Shengzhi, Sneyd, Alexander J., Cho, Hwan-Hee, Evans, Emrys W., Monserrat, Bartomeu, Li, Feng, Schnedermann, Christoph, Bronstein, Hugo, Friend, Richard H., Rao, Akshay

    Published in Nature (London) (09-05-2024)
    “…The coupling of excitons in π-conjugated molecules to high-frequency vibrational modes, particularly carbon–carbon stretch modes (1,000–1,600 cm −1 ) has been…”
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    Thiol-Anchored TIPS-Tetracene Ligands with Quantitative Triplet Energy Transfer to PbS Quantum Dots and Improved Thermal Stability by Gray, Victor, Zhang, Zhilong, Dowland, Simon, Allardice, Jesse R, Alvertis, Antonios M, Xiao, James, Greenham, Neil C, Anthony, John E, Rao, Akshay

    Published in The journal of physical chemistry letters (03-09-2020)
    “…Triplet energy transfer between inorganic quantum dots (QDs) and organic materials plays a fundamental role in many optoelectronic applications based on these…”
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    Ground states of strongly-correlated materials on quantum computers using ab initio downfolding by Alvertis, Antonios M, Khan, Abid, Tubman, Norm M

    Published 18-09-2024
    “…The accurate first-principles description of strongly-correlated materials is an important and challenging problem in condensed matter physics. Ab initio…”
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    Classical Benchmarks for Variational Quantum Eigensolver Simulations of the Hubbard Model by Alvertis, Antonios M, Khan, Abid, Iadecola, Thomas, Orth, Peter P, Tubman, Norm

    Published 01-08-2024
    “…Simulating the Hubbard model is of great interest to a wide range of applications within condensed matter physics, however its solution on classical computers…”
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    Rearrangement collision theory of phonon-driven exciton dissociation by Coveney, Christopher J. N, Haber, Jonah B, Alvertis, Antonios M, Neaton, Jeffrey B, Filip, Marina R

    Published 22-05-2024
    “…Understanding the processes governing the dissociation of excitons to free charge carriers in semiconductors and insulators is of central importance for…”
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    Capturing electronic correlations in electron-phonon interactions in molecular systems with the GW approximation by Alvertis, Antonios M, Williams-Young, David B, Bruneval, Fabien, Neaton, Jeffrey B

    Published 13-03-2024
    “…Electron-phonon interactions are of great importance to a variety of physical phenomena, and their accurate description is an important goal for…”
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    Journal Article
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    Phonon screening of excitons in atomically thin semiconductors by Lee, Woncheol, Alvertis, Antonios M, Li, Zhenglu, Louie, Steven G, Filip, Marina R, Neaton, Jeffrey B, Kioupakis, Emmanouil

    Published 01-08-2024
    “…Atomically thin semiconductors, encompassing both 2D materials and quantum wells, exhibit a pronounced enhancement of excitonic effects due to geometric…”
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    Phonon-induced localization of excitons in molecular crystals from first principles by Alvertis, Antonios M, Haber, Jonah B, Engel, Edgar A, Sharifzadeh, Sahar, Neaton, Jeffrey B

    Published 27-01-2023
    “…Phys. Rev. Lett. 130, 086401 (2023) The spatial extent of excitons in molecular systems underpins their photophysics and utility for optoelectronic…”
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    Journal Article
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    Phonon screening and dissociation of excitons at finite temperatures from first principles by Alvertis, Antonios M, Haber, Jonah B, Li, Zhenglu, Coveney, Christopher J. N, Louie, Steven G, Filip, Marina R, Neaton, Jeffrey B

    Published 06-12-2023
    “…The properties of excitons, or correlated electron-hole pairs, are of paramount importance to optoelectronic applications of materials. A central component of…”
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    Journal Article
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    Systematic improvement of molecular excited state calculations by inclusion of nuclear quantum motion: a mode-resolved picture and the effect of molecular size by Hele, Timothy J. H, Monserrat, Bartomeu, Alvertis, Antonios M

    Published 25-06-2021
    “…The Journal of Chemical Physics 154, 244109 (2021) The energies of molecular excited states arise as solutions to the electronic Schr\"{o}dinger equation and…”
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    How Does the Symmetry of S1 Influence Exciton Transport in Conjugated Polymers? by Pandya, Raj, Alvertis, Antonios M, Gu, Qifei, Sung, Jooyoung, Legrand, Laurent, Kréher, David, Barisien, Thierry, Chin, Alex W, Schnedermann, Christoph, Rao, Akshay

    Published 08-10-2020
    “…Many optoelectronic devices based on organic materials require rapid and long-range singlet exciton transport. Key factors that control the transport of…”
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