{"id":41,"date":"2015-01-30T15:57:30","date_gmt":"2015-01-30T20:57:30","guid":{"rendered":"https:\/\/sites.bu.edu\/sharifzadeh\/?page_id=41"},"modified":"2026-01-07T12:40:52","modified_gmt":"2026-01-07T17:40:52","slug":"publications","status":"publish","type":"page","link":"https:\/\/sites.bu.edu\/sharifzadeh\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"<h1 style=\"text-align: justify;\"><span style=\"color: #000000;\">Publications<\/span><\/h1>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2026<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">T.N. Mihm, K.J. Trerayapiwat, X. Li, X. Ma, S. Sharifzadeh, &#8220;Sulfur and sulfur-oxide compounds as potential optically active defects on SWCNTs,&#8221; <a href=\"https:\/\/pubs.rsc.org\/en\/content\/articlehtml\/2026\/ma\/d5ma01054c\"> <em>Materials Advances<\/em><\/a>, in press (2026).<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2025<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">A.S. Nabi and S. Sharifzadeh, &#8220;Impact of hole polaron formation on excitonic transitions in MgO from first principles,&#8221; <a href=\"https:\/\/journals.aps.org\/prmaterials\/abstract\/10.1103\/mpb2-3wrb\"> <em>Physical Review Materials<\/em> <\/a> <strong>9<\/strong> 124605 (2025).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">L.N. Mohanam, R. Umeda, L. Gu, Y. Song, D.J. Tobias, A.I. Hochbaum, R. Wu, S. Sharifzadeh, &#8220;Investigating electron conductivity regimes in the bacterial cytochrome wire OmcS,&#8221; <a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpcb.5c04205\"> <em>J. Physical Chemistry B<\/em><\/a> <strong>129<\/strong> 11889 (2025).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">Mihm, K.J. Trerayapiwat, P. Darancet, S. Sharifzadeh, \u201cFerroelectric phase transition in group-IV monochalcogenides from an equivariant machine learned force field,\u201d <a href=\"https:\/\/journals.aps.org\/prmaterials\/abstract\/10.1103\/t63g-4zp3\"> <em>Physical Review Materials <\/em><\/a> <strong>9<\/strong> 103801 (2025).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">Wang, J. Wen, T. Mihm, S. Feng, K. Huang, J. Tang, T. Li, L. Liang, S. Sharifzadeh, K. Lai, X. Ling \u201cMo Atom Rearrangement Drives Layer-Dependent Reactivity in Two-Dimensional MoS<sub>2<\/sub>,\u201d <a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/jacs.5c12760\"> <em>JACS <\/em><\/a><strong>147<\/strong> 35109 (2025).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">Lin, T. Mihm, S. Sharifzadeh, X. Ma, \u201cNear-Infrared Emission from Sulfur Heteroatom Defects in Single-Walled Carbon Nanotubes,\u201d <a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/acs.jpcc.5c03368\"> <em>J. Physical Chemistry <\/em> <\/a> <strong>129<\/strong> 17590 (2025).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">E. Groome, H. Pascual-Herrero, M.E. Hill, Z. Wang, M. Stepanova, S. Sharifzadeh, M.R. Shcherbakov, R. Wu, R. Ragan, \u201cChemical Mapping of Nanoparticle\u2013Ligand Interfaces in Optical Nanocavities,\u201d <a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/jacs.5c05582\"><em>JACS<\/em><\/a> <strong>147<\/strong> 21319 (2025).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">P.G. Lynch, S. Baughman, T.N. Mihm, S. Sharifzadeh, R.R. Frontiera, &#8220;IdentifyingDriving and Spectator Phonon Modes in Pentacene Exciton Transport&#8221; <a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/jacs.5c05271\"> <em> JACS<\/em><\/a> <strong>147<\/strong> 23705 (2025).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">P. Mastracco, L.N. Mohanam ,G. Nagaro, S. Prusty ,Y. Oh, R. Wu, Q. Cui, A. Hochbaum, S. Copp, S. Sharifzadeh, &#8220;Dynamic electronic structure fluctuations in the de novo peptide ACC-dimer revealed by first-principles theory and machine learning,&#8221; <a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/acs.jcim.4c01979\"> <em>J. Chemical Information and Modeling<\/em><\/a> <strong> 65 <\/strong> 2503 (2025).<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2024<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">M. Aleksich, et al., \u201cLigand-mediated Quantum Yield Enhancement in 1-Dimensional Silver Organothiolate Metal-Organic Chalcogenolates,\u201d <a href=\"https:\/\/doi.org\/10.1002\/adfm.202414914\"> <em> Advanced Functional Materials<\/em> <\/a> 2414914 (2024).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">A. Haldar*, Q. Clark*, F. Giustino, M. Zacharias, S. Sharifzadeh, \u201cMachine learning electron-phonon interactions in 2D semiconducting materials: The case of zero-point renormalization,\u201d<a href=\"https:\/\/journals.aps.org\/prmaterials\/abstract\/10.1103\/PhysRevMaterials.8.L101001\"> <em>Physical Review Materials<\/em> <\/a><strong>8 <\/strong> L101001 (2024).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">N. Oldani, V. Freixas, D. Ondarse-Alvarez, S. Sharifzadeh, T. Gibson, S. Tretiak, S. Fernandez-Alberti, \u201cElectronic Couplings versus Thermal Fluctuations in the Internal Conversion of Perylene Diimides: The Battle to Localize the Exciton,\u201d <a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/acs.jctc.4c00486\"><em> Journal of Chemical Theory and Computation<\/em><\/a> <strong>20<\/strong>, 5820 (2024).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">M. Morey, G. Nagaro, A. Halder, S. Sharifzadeh, E. Ryan, &#8220;A framework for nucleation in electrochemical systems and the effect of surface energy on dendrite growth,&#8221; <a href=\"https:\/\/www.sciencedirect.com\/science\/article\/abs\/pii\/S2352152X24017304\"> <em> Journal of Energy Storage<\/em><\/a> <strong>92<\/strong>, 112144 (2024)<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">S. Biswas, R. Zhao, F. Alowa, M. Zacharias, S. Sharifzadeh, D.F. Coker, D.S. Seferos, G.D. Scholes, &#8220;Exciton-polaron Formation and Hot Carrier Relaxation in Rigid Dion-Jacobson Type Two-Dimensional Perovskites,&#8221; <a href=\"https:\/\/www.nature.com\/articles\/s41563-024-01895-z\"> <em>Nature Materials<\/em><\/a> <strong>23<\/strong>, 937 (2024).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">K.J. Trerayapiwat, X. Li, X. Ma, S. Sharifzadeh,&#8221;Broken symmetry optical transitions in (6,5) single-walled carbon nanotubes containing sp3 defects revealed by first-principles theory,&#8221; <a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/acs.nanolett.3c03957\"> <em> Nano Letters <\/em> <\/a> <strong>24<\/strong>, 667 (2024).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">A. Haldar, Z. Huang, X. Ma, P.T. Darancet, S. Sharifzadeh,&#8221;Illumination protocols for non-linear phononics in bismuth and antimony,&#8221; <a href=\"https:\/\/journals.aps.org\/prmaterials\/abstract\/10.1103\/PhysRevMaterials.8.015202\"> <em> Physical Review Materials<\/em><\/a> (Editor&#8217;s choice) <strong>8<\/strong>, 015202 (2024).<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2023<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">X. Jia, A. Haldar, J. Kim, Y. Wang, G. Fabbris, K. Ludwig, S. Kourtis, M. Upton, Y. Liu, W. Lu, X. Luo, Y-P. Sun, D. Casa, S. Sharifzadeh, P.T. Darancet, Y. Cao,&#8221;Interplay of broken symmetry and delocalized excitations in the insulating state of 1T\u2212TaS,&#8221; <a href=\"https:\/\/journals.aps.org\/prb\/abstract\/10.1103\/PhysRevB.108.205105&quot;\"> <em> Physical Review B <\/em><\/a> <strong>108<\/strong>, 205105 (2023).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">P. Pratakshya, C. Xu, D. Dibble, A. Mukazhanova , P. Liu, A. Burke, R. Kurakake, R. Lopez , P. Dennison, S. Sharifzadeh, A. Gorodetsky &#8220;Octopus-Inspired Deception and Signaling Systems from an Exceptionally-stable Nonacene Derivative,&#8221; <a href=\"https:\/\/www.nature.com\/articles\/s41467-023-40163-7\"> <em> Nature Communication<\/em><\/a> <strong>14<\/strong>, 8528 (2023).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">M. Mansouri, P. Koval, S. Sharifzadeh, D. Sanchez-Portal, \u201cMolecular Doping in the Organic Semiconductor Diindenoperylene: Insights From Many-Body Perturbation Theory,\u201d <a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpcc.3c03758\"> <em>J. Physical Chemistry C<\/em><\/a> <strong>127<\/strong>, 16668 (2023).<br \/>\n<a href=\"\/sharifzadeh\/files\/2023\/04\/TC011016_OBC_PUBLICITY.png\"><img loading=\"lazy\" src=\"\/sharifzadeh\/files\/2023\/04\/TC011016_OBC_PUBLICITY-486x636.png\" alt=\"\" width=\"159\" height=\"208\" class=\" wp-image-707 alignleft\" srcset=\"https:\/\/sites.bu.edu\/sharifzadeh\/files\/2023\/04\/TC011016_OBC_PUBLICITY-486x636.png 486w, https:\/\/sites.bu.edu\/sharifzadeh\/files\/2023\/04\/TC011016_OBC_PUBLICITY-782x1024.png 782w, https:\/\/sites.bu.edu\/sharifzadeh\/files\/2023\/04\/TC011016_OBC_PUBLICITY-768x1006.png 768w, https:\/\/sites.bu.edu\/sharifzadeh\/files\/2023\/04\/TC011016_OBC_PUBLICITY-1173x1536.png 1173w, https:\/\/sites.bu.edu\/sharifzadeh\/files\/2023\/04\/TC011016_OBC_PUBLICITY-1564x2048.png 1564w\" sizes=\"(max-width: 159px) 100vw, 159px\" \/><\/a><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">V.M. Freixas, et al., &#8220;NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations,&#8221; <a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jctc.3c00583\"><em>J. Chemical Theory &amp; Computation<\/em><\/a> <strong>19<\/strong>, 5356 (2023).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">M. Mansouri, D.K. Lewis, S. Sharifzadeh, &#8220;Introduction of Localized Spin-State Transitions in the Optical Absorption Spectrum of Cr-doped GaN,&#8221; <a href=\"https:\/\/journals.aps.org\/prb\/abstract\/10.1103\/PhysRevB.107.184103\"><em>Physical Review B<\/em><\/a>\u00a0<strong>107<\/strong>, 184103 (2023).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">A. Mukazhanova, H. Negrin Yuvero, V.M. Freixas, S. Tretiak, S. Fernandez-Alberti, S. Sharifzadeh, \u201cThe Impact of Stacking and Phonon Environment on Energy Transfer in Organic Chromophores: Computational Insights,\u201d <em><a href=\"https:\/\/doi.org\/10.1039\/D3TC00479A\">J. Materials Chemistry C<\/a><\/em>\u00a0<strong>11<\/strong>, 5297 (2023)<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">J-S. Chen, K.J. Trerayapiwat , L. Sun, M. Krzyaniak, M. Wasielewski, T. Rajh, S. Sharifzadeh, and X. Ma, \u201cLong-Lived Electronic Spin Qubits in Single-Walled Carbon Nanotubes\u201d, <em><a href=\"https:\/\/doi.org\/10.1038\/s41467-023-36031-z\">Nature Communications<\/a><\/em>\u00a0<strong>14<\/strong>, 848 (2023).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">A.M. Alvertis, J.B. Haber, E.A. Engel, S. Sharifzadeh, and J.B. Neaton, &#8220;Phonon-induced localization of excitons in molecular crystals from first principles,&#8221;<em><a href=\"https:\/\/link.aps.org\/doi\/10.1103\/PhysRevLett.130.086401\">Physical Review Letters<\/a><\/em>\u00a0<strong>130<\/strong>, 086401 (2023).<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2022<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">D.K. Lewis, Y. Oh, L.N. Mohanam, M. Wierzbicki, L. Gu, A. Hochbaum, R. Wu, Q. Cui, and S. Sharifzadeh, \u201cElectronic Structure of de Novo Peptide ACC-Hex from First Principles,\u201d <em><a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/acs.jpcb.2c02346\">J. Physical Chemistry B<\/a><\/em> <strong>126<\/strong>, 4289\u00a0(2022).<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">\u00a0H. Negrin Yuvero, A. Mukazhanova, V. Freixas, S. Tretiak, S. Sharifzadeh, and S. Fernandez-Alberti, <a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpca.1c09484\"><em>J. Physical Chemistry<\/em>\u00a0A\u00a0<strong>126<\/strong>, 733 (2022)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">\u00a0X. Wang, J. Cao, H. Li, Z. Lu, A. Cohen, A. Haldar, H. Kitadai, Q. Tan, K.S. Burch, D. Smirnov, W. Xu, S. Sharifzadeh, L. Liang, and X. Ling, <a href=\"https:\/\/www.science.org\/doi\/full\/10.1126\/sciadv.abl7707\"><em>Science Advances<\/em> <span dir=\"ltr\"><\/span><strong><span dir=\"ltr\">8<\/span><\/strong><span dir=\"ltr\">, eabl7707 \u00a0<\/span>(2022)<\/a>.<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2021<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">\u00a0K. Jing Trerayapiwat, H. Kitadai, V. Pazmany, S.P.Lagueux, H.E. Skipper, L.H. Doerrer, X. Ling, and S. Sharifzadeh, \u201cOptical Signature of Metallophilic Interactions in[Pt(terpy)Cl][Au(CN)<sub>2<\/sub>],\u201d <a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpcc.1c04596\"><i>J. Physical Chemistry<\/i>\u00a0<strong>125,<\/strong> 22188 (2021)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">\u00a0D.K. Lewis and S. Sharifzadeh, \u201cModeling Excited-States of Point Defects in Materials from Many-body Perturbation Theory,\u201d <a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acsmaterialslett.1c00139\" em=\"\"><em>ACS Materials Letters<\/em>\u00a0<strong>3,<\/strong> 862 (2021)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">M. Alaghemandi, L. Salehi, P. Samolis, B.T. Trachtenberg, A. Turnali, M.Y. Sander, and S. Sharifzadeh, \u201cAtomic Understanding of Structural Deformations upon Ablation of Graphene,&#8221; <a href=\"https:\/\/doi.org\/10.1002\/nano.202000248\" em=\"\"><em>Nano Select<\/em>\u00a0<strong>1,<\/strong> (2021) <\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">X. Wang, J. Cao, Z. Lu, A. Cohen, H. Kitadai, T. Li, M. Wilson, C. Hung Lui, D. Smirnov, S. Sharifzadeh, and X. Ling, \u201cSpin-Induced Linear Polarization of Excitonic Emission in Antiferromagnetic van der Waals Crystals,\u201d <a href=\"https:\/\/www.nature.com\/articles\/s41563-021-00968-7\" em=\"\"><em>Nature Materials<\/em>\u00a0<strong>20,<\/strong>\u00a0964 (2021) <\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">T.A. Huang, M. Zacharias, D.K. Lewis, F. Giustino, and S. Sharifzadeh, \u201cExciton-Phonon Interactions in Monolayer Germanium Selenide from First-Principles,\u201d<a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpclett.1c00264\"><em>J. Physical Chemistry Letters<\/em> <b>12<\/b><span>, 3802<\/span> (2021)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">K.J. Trerayapiwat, S.-H. Lohmann, X. Ma, and S. Sharifzadeh, \u201cTuning Spin-Orbit Coupling in (6,5) Single-Walled Carbon Nanotube Doped with sp<sup>3<\/sup> Defects,\u201d <a href=\"https:\/\/aip.scitation.org\/doi\/10.1063\/5.0031337\"><em>J. Applied Physics<\/em> <b>129<\/b><span>, 014309<\/span> (2021)<\/a>.<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2020<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">A. Mukazhanova, W. Malone, H. Negrin-Yuvero, S. Fernandez-Alberti, S. Tretiak, S. Sharifzadeh, \u201cPhotoexcitation Dynamics in Perylene Diimide Dimers,\u201d <a href=\"https:\/\/aip.scitation.org\/doi\/10.1063\/5.0031485\"><em>J. Chemical Physics<\/em> <strong>15,<\/strong> <span>244117<\/span> (2020)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">S.-H. Lohmann, K.J. Trerayapiwat, J. Niklas, O.G. Poluektov, S. Sharifzadeh, and X. Ma \u201csp3-Functionalization of Single-Walled Carbon Nanotubes Creates Localized Spins,\u201d <a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acsnano.0c08782\"><em>ACS Nano<\/em> <strong>14<\/strong>, 17675 (2020)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">A. Cohen, D.K. Lewis, T. Huang, and S. Sharifzadeh, &#8220;Localized Excitons in Defective Monolayer Germanium Selenide,&#8221; <a href=\"https:\/\/journals.aps.org\/prmaterials\/abstract\/10.1103\/PhysRevMaterials.4.076002\"><em>Physical Review Materials, <\/em><strong>4<\/strong>, 076002 (2020).<\/a><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">D.K. Lewis, Ashwin Ramasubramaniam, and S. Sharifzadeh,&#8221;Tuned and Screened Range-Separated Hybrid Density Functional Theory for Describing Electronic and Optical Properties of Defective Gallium Nitride,&#8221; <a href=\"https:\/\/journals.aps.org\/prmaterials\/abstract\/10.1103\/PhysRevMaterials.4.063803\"><em>Physical Review Materials<\/em>, <strong>4<\/strong>, 063803 (2020).<\/a><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">A. Haldar, C.L. Cortes, P. Darancet, and S. Sharifzadeh, \u201cMicroscopic Theory of Plasmons in Substrate-Supported Borophene,\u201d <a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.nanolett.9b04789\"> <em> Nano Letters<\/em>, <strong> 20 <\/strong>, 2986 (2020).<\/a><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">A. Mukazhanova, K.J. Trerayapiwat, A. Mazaheripour, A.G. Wardrip, N.C. Frey, H. Nguyen, A.A. Gorodetsky, and S. Sharifzadeh, \u201cAccurate First-Principles Calculation of the Vibronic Spectrum of Stacked Perylene Tetracarboxylic Acid Diimides,\u201d <a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jpca.9b08117\"><em>Journal of Physical Chemistry A<\/em>, <strong> 124 <\/strong>, 3055 (2020).<\/a><\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2019<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">A. Vasquez, M. Alaghemandi, J. Zeng, P. Samolis, A. Sapp, S. Sharifzadeh, and M.Y. Sander, &#8220;Femtosecond Laser Ablation of Monolayer Graphene with Analysis of the Structural Deformations,&#8221; <a href=\"https:\/\/ieeexplore.ieee.org\/abstract\/document\/8750069\"> 2019 Conference on Lasers and Electro-Optics (CLEO), San Jose, CA, USA, pp. 1-2 (2019).<\/a><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">D.K. Lewis and S. Sharifzadeh,&#8221;Defect-Induced Exciton Localization in Bulk Gallium Nitride from Many-Body Perturbation Theory,&#8221; <a href=\"https:\/\/journals.aps.org\/prmaterials\/abstract\/10.1103\/PhysRevMaterials.3.114601#fulltext\"><em>Physical Review Materials<\/em>, <strong>3<\/strong>, 114601 (2019).<\/a><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">T. Huang, D.K. Lewis, and S. Sharifzadeh, \u201c<span>Assessing the Role of Inter-Molecular Interactions in a Perylene-Based Nanowire Using First-Principles Many-Body Perturbation Theory<\/span><span><\/span>,\u201d <a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpclett.9b00800\"> <em>Journal of Physical Chemistry Letters <\/em><strong>10<\/strong>, 2842 (2019)<em>.<\/em><\/a><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">A. Bartlett, C.B. Markegard, D.J. Dibble,\u00a0A.A. Gorodetsky, S. Sharifzadeh, and H.D. Nguyen, \u201cMolecular Dynamics Simulations of DNA-Inspired Macromolecules from Perylenediimide Base Surrogates,\u201d <a href=\"https:\/\/doi.org\/10.1016\/j.synthmet.2019.04.012\"><em>Synthetic Metals Invited Early Career Issue, <\/em><strong>253\u00a0<\/strong>146 (2019)<\/a>.<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2018<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">S. Sharifzadeh, \u201cMany-Body Perturbation Theory for Understanding Optical Excitations in Organic Molecules and Solids,\u201d <a href=\"http:\/\/iopscience.iop.org\/article\/10.1088\/1361-648X\/aab0d1\"> <em>Journal of Physics: Condensed Matter<\/em> <strong>30<\/strong>, 153002 (2018).<\/a><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">L. Adamska, S. Sadasivam, J.J. Foley IV, P. Darancet, and S. Sharifzadeh, \u201cFirst-Principles Investigation of Borophene as a Monolayer Transparent Conductor,\u201d <a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/acs.jpcc.7b10197\"> <em>Journal of Physical Chemistry C <\/em> <strong>122<\/strong>, 4037 (2018).<\/a><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">T. Rangel, A. Rinn, S. Sharifzadeh, F.H. da Jornada, A. Pick, S.G. Louie, G. Witte, L. Kronik, J.B. Neaton, and S. Chatterjee, \u201cLow-Lying Excited-States in Crystalline Perylene: Experiment and Theory,\u201d <a href=\"http:\/\/www.pnas.org\/content\/115\/2\/284.abstract\"><em>Proceedings of the National Academy of Sciences<\/em>\u00a0<strong>1<\/strong><strong>15<\/strong>, 284 (2018).<\/a><\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2017<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">D. K. Lewis, M. Matsubara, E. Bellotti, and S. Sharifzadeh, \u201cQuasiparticle and Hybrid Density Functional Methods in Defect Studies: An Application to the Nitrogen Vacancy in GaN,\u201d <a href=\"https:\/\/journals.aps.org\/prb\/abstract\/10.1103\/PhysRevB.96.235203\"><em>Physical Review B<\/em> <strong>96<\/strong>, 235203 (2017)<\/a><em>.<\/em><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">L. Adamska and S. Sharifzadeh, \u201cFine-Tuning the Optoelectronic Properties of Freestanding Borophene by Strain,\u201d<a href=\"http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acsomega.7b01232\"> <em>ACS Omega<\/em> <strong>2<\/strong>, 8290 (2017).<\/a><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">A. Mazaheripour,, G. Kladnik, J.-M. Jocson, A.G. Wardrip, C.B. Markegard, N. Frey, A. Cossaro, L. Floreano, A. Verdini, A. Bartlett, A.M. Burke, N. H\u00fcsken, K. Miller, K. Van Wonterghem, R. Lopez, M. Lu, A. Masurkar, M.N. Dickson, S. Sharifzadeh, H.D. Nguyen, I. Kymissis, D. Cvetko, A. Morgante, A.A. Gorodetsky, \u201cUnexpected Length Dependence of Excited-State Charge Transfer Dynamics for Surface-Confined Perylenediimide Ensembles,\u201d <a href=\"http:\/\/pubs.rsc.org\/is\/content\/articlehtml\/2017\/mh\/c6mh00465b\"><em>Materials Horizons <\/em><strong>4<\/strong>, 437 (2017)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">Y. Zhang, D.R. Manke, S. Sharifzadeh, A.L. Briseno, A. Ramasubramaniam, and K.J. Koski, &#8220;The Elastic Constants of Rubrene Determined by Brillouin Scattering and Density Functional Theory,&#8221;<a href=\"http:\/\/aip.scitation.org\/doi\/abs\/10.1063\/1.4976826\"><em>Applied Physics Letters <\/em><strong>110<\/strong>, 071903 (2017)<\/a>.<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2016<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">A. Mazaheripour, G. Kladnik, J.-M. Jocson, A. Wardrip, C. B. Markegard, N. Frey, N. Husken, A. Cossaro, L. Floreano, A. Verdini, A. Bartlett, A. M. Burke, K. Miller, R. Lopez, M. Lu, M. N. Dickson, S. Sharifzadeh, H. Nguyen, I. Kymissis, D. Cvetko, A. Morgante, and A. A. Gorodetsky, \u201cLength-Independent Charge Transport in Chimeric Molecular Wires,\u201d <a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/anie.201605411\/full\"><i>Angewandte Chemie<\/i>\u00a0<strong>55,<\/strong>\u00a014267 (2016)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">T. Rangel, K. Berland, S. Sharifzadeh, F. Brown-Altvatar, K. Lee, P. Hyldgaard, L. Kronik, and J.B. Neaton, <a href=\"http:\/\/journals.aps.org\/prb\/abstract\/10.1103\/PhysRevB.93.115206\"><em>Physical Review B <\/em><strong>93<\/strong>, 115206 (2016)<\/a>.<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2015<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">M.J. van Setten, F. Caruso, S. Sharifzadeh, X. Ren, M. Scheffler, F. Liu, J. Lischner, L. Lin, J.R. Deslippe, S.G. Louie, C. Yang, F. Weigend, J.B. Neaton, F. Evers, and P. Rinke, &#8220;GW100: Benchmarking G0W0 for Molecular Systems,&#8221; <a href=\"http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jctc.5b00453\"><em>J. Computational Theory and Computation<\/em> <strong>11<\/strong>, 5665 (2015). <\/a><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">S. Refaely-Abramson, M. Jain, S. Sharifzadeh, J.B. Neaton, and L. Kronik, \u201cSolid-state optical absorption from optimally-tuned time-dependent range-separated hybrid density functional theory,\u201d <a href=\"http:\/\/journals.aps.org\/prb\/abstract\/10.1103\/PhysRevB.92.081204\"><em> Physical Review B<\/em> <strong>92<\/strong>, 081204(R) (2015). <\/a><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">S. Sharifzadeh, C. Wong, H. Wu, B. Cotts, L. Kronik, N.S. Ginsberg, and J.B. Neaton, \u201cRelating the Physical Structure and Optoelectronic Function of Crystalline TIPS-Pentacene,\u201d <a href=\"http:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/adfm.201403005\/abstract\"><i>Advanced Functional Materials<\/i> <strong>25<\/strong>, 2038 (2015)<\/a>.<span style=\"text-decoration: underline;\"> <\/span><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">F. Liu, L. Lin, D. Vigil-Fowler, J. Lischner, A.F. Kemper, S. Sharifzadeh, F.H. Jornada, J.R. Deslippe, C. Yang, J.B. Neaton, and S.G. Louie, \u201cNumerical Integration for ab initio Many-Electron Self Energy Calculations within the GW Approximation,\u201d <a href=\"http:\/\/www.sciencedirect.com\/science\/article\/pii\/S0021999115000273\"><i>J. Computational Physics<\/i>, <b>286<\/b>, 1 (2015).<\/a><\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">P. Coto, S. Sharifzadeh, J.B. Neaton, and M. Thoss, \u201cThe Low-Lying Electronic Excited States of Pentacene Oligomers: A Comparative Electronic Structure Study in the Context of Singlet Fission,\u201d <a href=\"http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ct500510k\"><i>J. Chemical Theory and Computation<\/i> <b>11<\/b>, 147 (2015)<\/a>.<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2014<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">J. Lischner, S. Sharifzadeh, J.R. Deslippe, J.B. Neaton, and S.G. Louie, \u201cEffects of Self-Consistency and Plasmon-Pole Models on GW-Predicted Molecular Orbital Energies of Closed-Shell Molecules,\u201d <a href=\"http:\/\/journals.aps.org\/prb\/abstract\/10.1103\/PhysRevB.90.115130\"><i>Physical Review B <\/i><b>90<\/b>, 115130 (2014)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">D.A. Egger, S. Weissman, S. Refaely-Abramson, S. Sharifzadeh, M. Dauth, R. Baer, S. Kummel, J.B. Neaton, E. Zojer, and L. Kronik, \u201cOuter-Valence Electron Spectra of Prototypical Organic Molecules from an Optimally-Tuned Range-Separated Hybrid Functional: A Quantitative Analysis,\u201d <a href=\"http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ct400956h\"><i>J. Chemical Theory and Computation<\/i> <b>10<\/b>, 1934 (2014)<\/a>.<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2013<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">S. Refaely-Abramson, S. Sharifzadeh, M. Jain, R. Baer, J.B. Neaton, and L. Kronik, \u201cGap Renormalization of Molecular Crystals from Density Functional Theory,\u201d <a href=\"http:\/\/journals.aps.org\/prb\/abstract\/10.1103\/PhysRevB.88.081204\"><i>Physical Review B <\/i><b>88<\/b>,<i> <\/i>081204(R) (2013)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">S. Sharifzadeh, P.T. Darancet, L. Kronik, and J.B. Neaton, \u201cLow-Energy Charge-Transfer Excitons in Organic Solids from First-Principles: The Case of Pentacene,\u201d <a href=\"http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/jz401069f\"><i>J. Physical Chemistry Letters <\/i><b>4<\/b>, 2197 (2013)<\/a>.<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red;\">2012<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">S. Refaely-Abramson, S. Sharifzadeh, N. Govind, J. Autschbach, J.B. Neaton, R. Baer, and L. Kronik, \u201cQuasiparticle Spectra from a Non-Empirical Optimally-Tuned Range-Separated Hybrid Density Functional,\u201d <a href=\"http:\/\/journals.aps.org\/prl\/abstract\/10.1103\/PhysRevLett.109.226405\"><i>Physical Review Letters<\/i> <b>109<\/b>, 226405 (2012)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">S. Sharifzadeh, I. Tamblyn, P. Doak, P. Darancet, and J.B. Neaton, \u201cQuantitative Molecular Orbital Energies within a G<sub>0<\/sub>W<sub>0<\/sub> Approximation,\u201d <a href=\"http:\/\/link.springer.com\/article\/10.1140%2Fepjb%2Fe2012-30206-0?LI=true\"><i>European Physical Journal B<\/i> <b>85<\/b>, 323 (2012)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">S. Sharifzadeh, A. Biller, L. Kronik, and J.B. Neaton, \u201cQuasiparticle and Optical Spectroscopy of Organic Semiconductors Pentacene and PTCDA from First Principles,\u201d <a href=\"http:\/\/journals.aps.org\/prb\/abstract\/10.1103\/PhysRevB.85.125307\"><i>Physical Review B <\/i><b>85<\/b>, 125307<i> <\/i>(2012)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">D.K. Kanan, S. Sharifzadeh, and E.A. Carter, \u201cQuantum Mechanical Modeling of Electronic Excitations in Metal Oxides: Magnesia as a Prototype,\u201d <a href=\"http:\/\/www.sciencedirect.com\/science\/article\/pii\/S0009261411013522\"><i>Chemical Physics Letters<\/i> <b>519-520<\/b>, 18 (2012)<\/a>.<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2011<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">E.B. Isaacs, S. Sharifzadeh, B. Ma, and J.B. Neaton, \u201cRelating Trends in First-Principles Electronic Structure and Open-Circuit Voltage in Organic Photovoltaics,\u201d <a href=\"http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/jz201148k\"><i>J. Physical Chemistry Letters<\/i> <b>2<\/b>, 2531 (2011)<\/a>.<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2009<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">S. Sharifzadeh, P. Huang, and E. A. Carter, \u201cOrigin of Tunneling Lineshape Trends for Kondo States of Co Adatoms on Coinage Metal Surfaces,\u201d <a href=\"http:\/\/iopscience.iop.org\/0953-8984\/21\/35\/355501\"><i>J. Physics: Condensed Matter<\/i> <b>21<\/b>, 355501 (2009)<\/a>.<\/li>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">S. Sharifzadeh, P. Huang, and E.A. Carter, \u201cAll-Electron Embedded Correlated Wavefunction Theory for Condensed Matter Electronic Structure,\u201d <a href=\"http:\/\/www.sciencedirect.com\/science\/article\/pii\/S0009261409001134\"><i>Chemical Physics Letters<\/i> <b>470<\/b>, 347 (2009)<\/a>.<\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2008<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">S. Sharifzadeh, P. Huang, and E. A. Carter, \u201cEmbedded Configuration Interaction Description of CO on Cu (111): Resolution of the Site Preference Conundrum,\u201d <a href=\"http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/jp710890a\"><em>J. Physical Chemistry C<\/em> <strong>112<\/strong>, 4649 (2008).<\/a><\/li>\n<\/ul>\n<p style=\"font-size: 18px; color: red; text-align: justify;\">2003<\/p>\n<ul>\n<li style=\"font-size: 14px; font-style: normal; text-align: justify;\">M.M. Maharbiz, W.J. Holtz, <span style=\"text-decoration: underline;\">S. Sharifzadeh<\/span>, J.D. Keasling, and R.T. Howe, \u201cA Microfabricated Electrochemical Oxygen Generator for High-Density Cell Culture Arrays,\u201d <a href=\"http:\/\/ieeexplore.ieee.org\/xpls\/abs_all.jsp?arnumber=1240130&amp;tag=1\"><em>J. Microelectromechanical Systems<\/em> <strong>12<\/strong>, 590 (2003).<\/a><\/li>\n<\/ul>\n<p style=\"font-size: 14px; color: blue; text-align: justify;\">Link to Google Scholar page: <a href=\"http:\/\/scholar.google.com\/citations?user=Z1dJWzgAAAAJ&amp;hl=en\">http:\/\/scholar.google.com\/citations?user=Z1dJWzgAAAAJ&amp;hl=en<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Publications 2026 T.N. Mihm, K.J. Trerayapiwat, X. Li, X. Ma, S. Sharifzadeh, &#8220;Sulfur and sulfur-oxide compounds as potential optically active defects on SWCNTs,&#8221; Materials Advances, in press (2026). 2025 A.S. Nabi and S. Sharifzadeh, &#8220;Impact of hole polaron formation on excitonic transitions in MgO from first principles,&#8221; Physical Review Materials 9 124605 (2025). L.N. Mohanam, [&hellip;]<\/p>\n","protected":false},"author":9897,"featured_media":0,"parent":0,"menu_order":4,"comment_status":"closed","ping_status":"closed","template":"page-templates\/no-sidebars.php","meta":[],"_links":{"self":[{"href":"https:\/\/sites.bu.edu\/sharifzadeh\/wp-json\/wp\/v2\/pages\/41"}],"collection":[{"href":"https:\/\/sites.bu.edu\/sharifzadeh\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/sites.bu.edu\/sharifzadeh\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/sites.bu.edu\/sharifzadeh\/wp-json\/wp\/v2\/users\/9897"}],"replies":[{"embeddable":true,"href":"https:\/\/sites.bu.edu\/sharifzadeh\/wp-json\/wp\/v2\/comments?post=41"}],"version-history":[{"count":51,"href":"https:\/\/sites.bu.edu\/sharifzadeh\/wp-json\/wp\/v2\/pages\/41\/revisions"}],"predecessor-version":[{"id":823,"href":"https:\/\/sites.bu.edu\/sharifzadeh\/wp-json\/wp\/v2\/pages\/41\/revisions\/823"}],"wp:attachment":[{"href":"https:\/\/sites.bu.edu\/sharifzadeh\/wp-json\/wp\/v2\/media?parent=41"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}