Search Results - "Hamed, Samia M."

molgw 1: Many-body perturbation theory software for atoms, molecules, and clusters by Bruneval, Fabien, Rangel, Tonatiuh, Hamed, Samia M., Shao, Meiyue, Yang, Chao, Neaton, Jeffrey B.

“…We summarize the molgw code that implements density-functional theory and many-body perturbation theory in a Gaussian basis set. The code is dedicated to the…”
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Electron delocalization and charge mobility as a function of reduction in a metal–organic framework by Aubrey, Michael L., Wiers, Brian M., Andrews, Sean C., Sakurai, Tsuneaki, Reyes-Lillo, Sebastian E., Hamed, Samia M., Yu, Chung-Jui, Darago, Lucy E., Mason, Jarad A., Baeg, Jin-Ook, Grandjean, Fernande, Long, Gary J., Seki, Shu, Neaton, Jeffrey B., Yang, Peidong, Long, Jeffrey R.

“…Conductive metal–organic frameworks are an emerging class of three-dimensional architectures with degrees of modularity, synthetic flexibility and structural…”
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Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes by Rangel, Tonatiuh, Hamed, Samia M, Bruneval, Fabien, Neaton, Jeffrey B

“…Charged excitations of the oligoacene family of molecules, relevant for astrophysics and technological applications, are widely studied and therefore provide…”
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Enrichment of molecular antenna triplets amplifies upconverting nanoparticle emission by Garfield, David J., Borys, Nicholas J., Hamed, Samia M., Torquato, Nicole A., Tajon, Cheryl A., Tian, Bining, Shevitski, Brian, Barnard, Edward S., Suh, Yung Doug, Aloni, Shaul, Neaton, Jeffrey B., Chan, Emory M., Cohen, Bruce E., Schuck, P. James

“…Efficient photon upconversion at low light intensities promises major advances in technologies spanning solar energy harvesting to deep-tissue biophotonics…”
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Exploiting Chromophore–Protein Interactions through Linker Engineering To Tune Photoinduced Dynamics in a Biomimetic Light-Harvesting Platform by Delor, Milan, Dai, Jing, Roberts, Trevor D, Rogers, Julia R, Hamed, Samia M, Neaton, Jeffrey B, Geissler, Phillip L, Francis, Matthew B, Ginsberg, Naomi S

“…Creating artificial systems that mimic and surpass those found in nature is one of the great challenges of modern science. In the context of photosynthetic…”
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Excited States of Molecules with Density Functional Theory and Many Body Perturbation Theory by Hamed, Samia M

“…The accurate prediction of electronic excitation energies in molecules is an area of intense research of significant fundamental interest and is critical for…”
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An assessment of the low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach by Rangel, Tonatiuh, Hamed, Samia M, Bruneval, Fabien, Neaton, Jeffrey B

“…J. Chem. Phys. 146, 194108 (2017) The accurate prediction of singlet and triplet excitation energies is of significant fundamental interest and is critical for…”
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Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes by Rangel, Tonatiuh, Hamed, Samia M, Bruneval, Fabien, Neaton, Jeffrey B

“…Charged excitations of the oligoacene family of molecules, relevant for astrophysics and technological applications, are widely studied and therefore provide…”
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A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules by Bruneval, Fabien, Hamed, Samia M, Neaton, Jeffrey B

“…The predictive power of the ab initio Bethe-Salpeter equation (BSE) approach, rigorously based on many-body Green's function theory but incorporating…”
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