Sergei Tretiak - Publications

Affiliations: 
Thoeretical Division Los Alamos National Laboratory, Los Alamos, NM, United States 

228 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Zhang Y, Nelson T, Tretiak S. Non-adiabatic molecular dynamics of molecules in the presence of strong light-matter interactions. The Journal of Chemical Physics. 151: 154109. PMID 31640366 DOI: 10.1063/1.5116550  0.48
2019 Ghosh D, Acharya D, Zhou L, Nie W, Prezhdo OV, Tretiak S, Neukirch AJ. Lattice Expansion in Hybrid Perovskites: Effect on Optoelectronic Properties and Charge Carrier Dynamics. The Journal of Physical Chemistry Letters. PMID 31407911 DOI: 10.1021/acs.jpclett.9b02020  0.96
2019 Zhou L, Katan C, Nie W, Tsai H, Pedesseau L, Crochet JJ, Even J, Mohite AD, Tretiak S, Neukirch AJ. Cation Alloying Delocalizes Polarons in Lead Halide Perovskites. The Journal of Physical Chemistry Letters. 3516-3524. PMID 31188606 DOI: 10.1021/acs.jpclett.9b01077  0.48
2019 Sifain AE, Wang L, Tretiak S, Prezhdo OV. Numerical tests of coherence-corrected surface hopping methods using a donor-bridge-acceptor model system. The Journal of Chemical Physics. 150: 194104. PMID 31117794 DOI: 10.1063/1.5092999  0.96
2019 He X, Sun L, Gifford BJ, Tretiak S, Piryatinski A, Li X, Htoon H, Doorn SK. Intrinsic limits of defect-state photoluminescence dynamics in functionalized carbon nanotubes. Nanoscale. PMID 31032824 DOI: 10.1039/c9nr02175b  0.52
2018 Neukirch AJ, Abate II, Zhou L, Nie W, Tsai H, Pedesseau L, Even J, Crochet JJ, Mohite AD, Katan C, Tretiak S. Geometry Distortion and Small Polaron Binding Energy Changes with Ionic Substitution in Halide Perovskites. The Journal of Physical Chemistry Letters. PMID 30523689 DOI: 10.1021/acs.jpclett.8b03343  0.48
2018 Ondarse-Alvarez D, Nelson TR, Lupton JM, Tretiak S, Fernandez-Alberti S. Let Digons be Bygones: The Fate of Excitons in Curved π-Systems. The Journal of Physical Chemistry Letters. PMID 30508376 DOI: 10.1021/acs.jpclett.8b03160  0.36
2018 Zhou L, Zhang Y, Zhuo Z, Neukirch AJ, Tretiak S. Interlayer-Decoupled Sc-Based Mxene with High Carrier Mobility and Strong Light-Harvesting Ability. The Journal of Physical Chemistry Letters. 6915-6920. PMID 30472850 DOI: 10.1021/acs.jpclett.8b03077  0.48
2018 Sifain AE, Gifford BJ, Gao DW, Lystrom L, Nelson TR, Tretiak S. NEXMD Modeling of Photoisomerization Dynamics of 4-Styrylquinoline. The Journal of Physical Chemistry. A. PMID 30388012 DOI: 10.1021/acs.jpca.8b09103  0.68
2018 Saha A, Gifford BJ, He X, Ao G, Zheng M, Kataura H, Htoon H, Kilina S, Tretiak S, Doorn SK. Narrow-band single-photon emission through selective aryl functionalization of zigzag carbon nanotubes. Nature Chemistry. PMID 30177779 DOI: 10.1038/s41557-018-0126-4  0.56
2018 Kepenekian M, Traore B, Blancon JC, Pedesseau L, Tsai H, Nie W, Stoumpos CC, Kanatzidis MG, Even J, Mohite AD, Tretiak S, Katan C. Concept of lattice mismatch and emergence of surface states in 2D hybrid perovskite quantum wells. Nano Letters. PMID 30086221 DOI: 10.1021/acs.nanolett.8b02078  0.4
2018 Nebgen B, Lubbers N, Smith JS, Sifain AE, Lokhov A, Isayev O, Roitberg AE, Barros K, Tretiak S. Transferable Dynamic Molecular Charge Assignment Using Deep Neural Networks. Journal of Chemical Theory and Computation. PMID 30064217 DOI: 10.1021/acs.jctc.8b00524  0.68
2018 Sifain AE, Lubbers N, Nebgen BT, Smith JS, Lokhov AY, Isayev O, Roitberg AE, Barros K, Tretiak S. Discovering a Transferable Charge Assignment Model Using Machine Learning. The Journal of Physical Chemistry Letters. PMID 30039707 DOI: 10.1021/acs.jpclett.8b01939  0.68
2018 Zhang Y, Nelson TR, Tretiak S, Guo H, Schatz GC. Plasmonic Hot-Carrier Mediated Tunable Photochemical Reactions. Acs Nano. PMID 30001116 DOI: 10.1021/acsnano.8b03830  0.48
2018 He X, Velizhanin KA, Bullard G, Bai Y, Olivier JH, Hartmann NF, Gifford BJ, Kilina SV, Tretiak S, Htoon H, Therien MJ, Doorn SK. Solvent and Wavelength-Dependent Photoluminescence Relaxation Dynamics of Carbon Nanotube sp3 Defect States. Acs Nano. PMID 29995379 DOI: 10.1021/acsnano.8b02909  0.96
2018 Lystrom L, Zhang Y, Tretiak S, Nelson TR. Site-Specific Photodecomposition in Conjugated Energetic Materials. The Journal of Physical Chemistry. A. PMID 29957946 DOI: 10.1021/acs.jpca.8b04381  0.48
2018 Park M, Neukirch AJ, Reyes-Lillo SE, Lai M, Ellis SR, Dietze D, Neaton JB, Yang P, Tretiak S, Mathies RA. Excited-state vibrational dynamics toward the polaron in methylammonium lead iodide perovskite. Nature Communications. 9: 2525. PMID 29955070 DOI: 10.1038/s41467-018-04946-7  0.56
2018 Nelson TR, Ondarse-Alvarez D, Oldani N, Rodriguez-Hernandez B, Alfonso-Hernandez L, Galindo JF, Kleiman VD, Fernandez-Alberti S, Roitberg AE, Tretiak S. Coherent exciton-vibrational dynamics and energy transfer in conjugated organics. Nature Communications. 9: 2316. PMID 29899334 DOI: 10.1038/s41467-018-04694-8  0.36
2018 Sifain AE, Bjorgaard JA, Nelson TR, Nebgen BT, White AJ, Gifford BJ, Gao DW, Prezhdo OV, Fernandez-Alberti S, Roitberg AE, Tretiak S. Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull π-Conjugated Oligomers with the NEXMD Software. Journal of Chemical Theory and Computation. PMID 29874465 DOI: 10.1021/acs.jctc.8b00103  0.96
2018 Gifford BJ, Sifain AE, Htoon H, Doorn SK, Kilina SV, Tretiak S. Correction Scheme for Comparison of Computed and Experimental Optical Transition Energies in Functionalized Single-Walled Carbon Nanotubes. The Journal of Physical Chemistry Letters. PMID 29678108 DOI: 10.1021/acs.jpclett.8b00653  0.96
2018 Tsai H, Asadpour R, Blancon JC, Stoumpos CC, Durand O, Strzalka JW, Chen B, Verduzco R, Ajayan PM, Tretiak S, Even J, Alam MA, Kanatzidis MG, Nie W, Mohite AD. Light-induced lattice expansion leads to high-efficiency perovskite solar cells. Science (New York, N.Y.). 360: 67-70. PMID 29622649 DOI: 10.1126/science.aap8671  0.4
2018 Zhang J, Zhang J, Zhou L, Cheng C, Lian C, Liu J, Tretiak S, Lischner J, Giustino F, Meng S. Universal Scaling of Intrinsic Resistivity in Two-Dimensional Metallic Borophene. Angewandte Chemie (International Ed. in English). PMID 29485742 DOI: 10.1002/anie.201800087  0.96
2018 Traore B, Pedesseau L, Assam L, Che X, Blancon JC, Tsai H, Nie W, Stoumpos CC, Kanatzidis MG, Tretiak S, Mohite AD, Even J, Kepenekian M, Katan C. Composite Nature of Layered Hybrid Perovskites: Assessment on Quantum and Dielectric Confinements and Band Alignment. Acs Nano. PMID 29481060 DOI: 10.1021/acsnano.7b08202  0.4
2018 Tsai H, Nie W, Blancon JC, Stoumpos CC, Soe CMM, Yoo J, Crochet J, Tretiak S, Even J, Sadhanala A, Azzellino G, Brenes R, Ajayan PM, Bulović V, Stranks SD, et al. Stable Light-Emitting Diodes Using Phase-Pure Ruddlesden-Popper Layered Perovskites. Advanced Materials (Deerfield Beach, Fla.). PMID 29314326 DOI: 10.1002/adma.201704217  0.4
2017 Nieman R, Tsai H, Nie W, Aquino AJA, Mohite AD, Tretiak S, Li H, Lischka H. The crucial role of a spacer material on the efficiency of charge transfer processes in organic donor-acceptor junction solar cells. Nanoscale. PMID 29227494 DOI: 10.1039/c7nr07125f  1
2017 Nie W, Tsai H, Blancon JC, Liu F, Stoumpos CC, Traore B, Kepenekian M, Durand O, Katan C, Tretiak S, Crochet J, Ajayan PM, Kanatzidis M, Even J, Mohite AD. Critical Role of Interface and Crystallinity on the Performance and Photostability of Perovskite Solar Cell on Nickel Oxide. Advanced Materials (Deerfield Beach, Fla.). PMID 29226392 DOI: 10.1002/adma.201703879  0.4
2017 Ma X, Hartmann NF, Velizhanin KA, Baldwin JKS, Adamska L, Tretiak S, Doorn SK, Htoon H. Multi-exciton emission from solitary dopant states of carbon nanotubes. Nanoscale. PMID 29053165 DOI: 10.1039/c7nr06661a  0.32
2017 He X, Gifford BJ, Hartmann NF, Ihly R, Ma X, Kilina SV, Luo Y, Shayan K, Strauf S, Blackburn JL, Tretiak S, Doorn SK, Htoon H. Low Temperature Single Carbon Nanotube Spectroscopy of sp3 Quantum Defects. Acs Nano. PMID 28958146 DOI: 10.1021/acsnano.7b03022  0.96
2017 Nelson TR, Fernandez-Alberti S, Roitberg AE, Tretiak S. Electronic Delocalization, Vibrational Dynamics and Energy Transfer in Organic Chromophores. The Journal of Physical Chemistry Letters. PMID 28603994 DOI: 10.1021/acs.jpclett.7b00790  0.36
2017 Zhou L, Zhuo Z, Kou L, Du A, Tretiak S. Computational Dissection of Two-dimensional Rectangular Titanium Mononitride TiN: Auxetics and Promises for Photocatalysis. Nano Letters. PMID 28585828 DOI: 10.1021/acs.nanolett.7b01704  0.48
2017 Franklin-Mergarejo R, Nelson T, Tretiak S, Fernandez-Alberti S. Phonon bottleneck and long-lived excited states in π-conjugated pyrene hoop. Physical Chemistry Chemical Physics : Pccp. PMID 28338127 DOI: 10.1039/c7cp00094d  0.4
2017 Sifain AE, Tadesse LF, Bjorgaard JA, Chavez DE, Prezhdo OV, Scharff RJ, Tretiak S. Cooperative enhancement of the nonlinear optical response in conjugated energetic materials: A TD-DFT study. The Journal of Chemical Physics. 146: 114308. PMID 28330340 DOI: 10.1063/1.4978579  0.96
2016 White A, Tretiak S, Mozyrsky D. Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces. Chemical Science. 7: 4905-4911. PMID 30155138 DOI: 10.1039/c6sc01319h  0.44
2016 Alfonso Hernandez L, Nelson T, Gelin MF, Lupton JM, Tretiak S, Fernandez-Alberti S. Interference of Interchromophoric Energy-Transfer Pathways in π-Conjugated Macrocycles. The Journal of Physical Chemistry Letters. 7: 4936-4944. PMID 27934058 DOI: 10.1021/acs.jpclett.6b02236  0.4
2016 Pedesseau L, Sapori D, Traore B, Robles R, Fang HH, Loi MA, Tsai H, Nie W, Blancon JC, Neukirch A, Tretiak S, Mohite AD, Katan C, Even J, Kepenekian M. Advances and Promises of Layered Halide Hybrid Perovskite Semiconductors. Acs Nano. PMID 27775343 DOI: 10.1021/acsnano.6b05944  0.4
2016 Yen HJ, Tsai H, Zhou M, Holby EF, Choudhury S, Chen A, Adamska L, Tretiak S, Sanchez T, Iyer S, Zhang H, Zhu L, Lin H, Dai L, Wu G, et al. Structurally Defined 3D Nanographene Assemblies via Bottom-Up Chemical Synthesis for Highly Efficient Lithium Storage. Advanced Materials (Deerfield Beach, Fla.). PMID 27723130 DOI: 10.1002/adma.201603613  1
2016 Ondarse-Alvarez D, Kömürlü S, Roitberg AE, Pierdominici-Sottile G, Tretiak S, Fernandez-Alberti S, Kleiman VD. Ultrafast electronic energy relaxation in a conjugated dendrimer leading to inter-branch energy redistribution. Physical Chemistry Chemical Physics : Pccp. 18: 25080-25089. PMID 27711661 DOI: 10.1039/c6cp04448d  1
2016 Franklin-Mergarejo R, Alvarez DO, Tretiak S, Fernandez-Alberti S. Carbon nanorings with inserted acenes: breaking symmetry in excited state dynamics. Scientific Reports. 6: 31253. PMID 27507429 DOI: 10.1038/srep31253  1
2016 Tsai H, Nie W, Blancon JC, Stoumpos CC, Asadpour R, Harutyunyan B, Neukirch AJ, Verduzco R, Crochet JJ, Tretiak S, Pedesseau L, Even J, Alam MA, Gupta G, Lou J, et al. High-efficiency two-dimensional Ruddlesden-Popper perovskite solar cells. Nature. PMID 27383783 DOI: 10.1038/nature18306  1
2016 Bjorgaard JA, Sifain AE, Nelson TR, Myers TW, Veauthier JM, Chavez DE, Scharff RJ, Tretiak S. Two-Photon Absorption in Conjugated Energetic Molecules. The Journal of Physical Chemistry. A. PMID 27257984 DOI: 10.1021/acs.jpca.6b03136  1
2016 Neukirch AJ, Nie W, Blancon JC, Appavoo K, Tsai H, Sfeir MY, Katan C, Pedesseau L, Even J, Crochet JJ, Gupta G, Mohite AD, Tretiak S. Polaron stabilization by cooperative lattice distortion and cation rotations in hybrid perovskite materials. Nano Letters. PMID 27224519 DOI: 10.1021/acs.nanolett.6b01218  1
2016 Nie W, Blancon JC, Neukirch AJ, Appavoo K, Tsai H, Chhowalla M, Alam MA, Sfeir MY, Katan C, Even J, Tretiak S, Crochet JJ, Gupta G, Mohite AD. Light-activated photocurrent degradation and self-healing in perovskite solar cells. Nature Communications. 7: 11574. PMID 27181192 DOI: 10.1038/ncomms11574  1
2016 Fernandez-Alberti S, Makhov DV, Tretiak S, Shalashilin DV. Non-adiabatic excited state molecular dynamics of phenylene ethynylene dendrimer using a multiconfigurational Ehrenfest approach. Physical Chemistry Chemical Physics : Pccp. 18: 10028-40. PMID 27004611 DOI: 10.1039/c5cp07332d  1
2016 Myers TW, Bjorgaard JA, Brown KE, Chavez DE, Hanson SK, Scharff RJ, Tretiak S, Veauthier JM. Energetic Chromophores: Low Energy Laser Initiation in Explosive Fe(II) Tetrazine Complexes. Journal of the American Chemical Society. PMID 26986744 DOI: 10.1021/jacs.6b02155  1
2016 Nelson TR, Bjorgaard JA, Greenfield MT, Bolme CA, Brown KE, McGrane SD, Scharff RJ, Tretiak S. Ultrafast Photodissociation Dynamics of Nitromethane. The Journal of Physical Chemistry. A. PMID 26735907 DOI: 10.1021/acs.jpca.5b09776  1
2016 Bjorgaard JA, Velizhanin KA, Tretiak S. Nonequilibrium solvent effects in Born-Oppenheimer molecular dynamics for ground and excited electronic states Journal of Chemical Physics. 144. DOI: 10.1063/1.4946009  1
2016 White A, Tretiak S, Mozyrsky D. Coupled wave-packets for non-adiabatic molecular dynamics: A generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces Chemical Science. 7: 4905-4911. DOI: 10.1039/c6sc01319h  1
2016 Kim M, Adamska L, Hartmann NF, Kwon H, Liu J, Velizhanin KA, Piao Y, Powell LR, Meany B, Doorn SK, Tretiak S, Wang YH. Fluorescent Carbon Nanotube Defects Manifest Substantial Vibrational Reorganization Journal of Physical Chemistry C. 120: 11268-11276. DOI: 10.1021/acs.jpcc.6b02538  1
2016 Nelson T, Naumov A, Fernandez-Alberti S, Tretiak S. Nonadiabatic excited-state molecular dynamics: On-the-fly limiting of essential excited states Chemical Physics. DOI: 10.1016/j.chemphys.2016.05.017  1
2016 Blancon JC, Nie W, Neukirch AJ, Gupta G, Tretiak S, Cognet L, Mohite AD, Crochet JJ. The Effects of Electronic Impurities and Electron–Hole Recombination Dynamics on Large-Grain Organic–Inorganic Perovskite Photovoltaic Efficiencies Advanced Functional Materials. 26: 4283-4292. DOI: 10.1002/adfm.201505324  1
2015 Nie W, Gupta G, Crone BK, Liu F, Smith DL, Ruden PP, Kuo CY, Tsai H, Wang HL, Li H, Tretiak S, Mohite AD. Interface Design Principles for High-Performance Organic Semiconductor Devices. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). 2: 1500024. PMID 27980948 DOI: 10.1002/advs.201500024  1
2015 Adamska L, Nazin GV, Doorn SK, Tretiak S. Self-Trapping of Charge Carriers in Semiconducting Carbon Nanotubes: Structural Analysis. The Journal of Physical Chemistry Letters. 6: 3873-9. PMID 26722885 DOI: 10.1021/acs.jpclett.5b01729  1
2015 Shenai PM, Fernandez-Alberti S, Bricker WP, Tretiak S, Zhao Y. Internal Conversion and Vibrational Energy Redistribution in Chlorophyll A. The Journal of Physical Chemistry. B. PMID 26651494 DOI: 10.1021/acs.jpcb.5b09548  1
2015 Hartmann NF, Yalcin SE, Adamska L, Hároz EH, Ma X, Tretiak S, Htoon H, Doorn SK. Photoluminescence imaging of solitary dopant sites in covalently doped single-wall carbon nanotubes. Nanoscale. PMID 26586162 DOI: 10.1039/c5nr06343d  1
2015 Bricker WP, Shenai PM, Ghosh A, Liu Z, Enriquez MG, Lambrev PH, Tan HS, Lo CS, Tretiak S, Fernandez-Alberti S, Zhao Y. Non-radiative relaxation of photoexcited chlorophylls: theoretical and experimental study. Scientific Reports. 5: 13625. PMID 26346438 DOI: 10.1038/srep13625  1
2015 Liu J, Kilina SV, Tretiak S, Prezhdo OV. Ligands Slow Down Pure-Dephasing in Semiconductor Quantum Dots. Acs Nano. 9: 9106-16. PMID 26284384 DOI: 10.1021/acsnano.5b03255  1
2015 White AJ, Gorshkov VN, Tretiak S, Mozyrsky D. Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo. The Journal of Chemical Physics. 143: 014115. PMID 26156473 DOI: 10.1063/1.4923473  1
2015 Galindo JF, Atas E, Altan A, Kuroda DG, Fernandez-Alberti S, Tretiak S, Roitberg AE, Kleiman V. DYNAMICS OF ENERGY TRANSFER IN A CONJUGATED DENDRIMER DRIVEN BY ULTRAFAST LOCALIZATION OF EXCITATIONS. Journal of the American Chemical Society. PMID 26122872 DOI: 10.1021/jacs.5b04075  1
2015 Kilina S, Kilin D, Tretiak S. Light-Driven and Phonon-Assisted Dynamics in Organic and Semiconductor Nanostructures. Chemical Reviews. 115: 5929-78. PMID 25993511 DOI: 10.1021/acs.chemrev.5b00012  0.56
2015 Liu J, Adamska L, Doorn SK, Tretiak S. Singlet and triplet excitons and charge polarons in cycloparaphenylenes: a density functional theory study. Physical Chemistry Chemical Physics : Pccp. 17: 14613-22. PMID 25971627 DOI: 10.1039/c5cp01782c  1
2015 Greenfield MT, McGrane SD, Bolme CA, Bjorgaard JA, Nelson TR, Tretiak S, Scharff RJ. Photoactive high explosives: linear and nonlinear photochemistry of petrin tetrazine chloride. The Journal of Physical Chemistry. A. 119: 4846-55. PMID 25951102 DOI: 10.1021/acs.jpca.5b02092  1
2015 Catanzaro MJ, Shi T, Tretiak S, Chernyak VY. Counting the number of excited states in organic semiconductor systems using topology. The Journal of Chemical Physics. 142: 084113. PMID 25725718 DOI: 10.1063/1.4908560  1
2015 Nie W, Tsai H, Asadpour R, Blancon JC, Neukirch AJ, Gupta G, Crochet JJ, Chhowalla M, Tretiak S, Alam MA, Wang HL, Mohite AD. Solar cells. High-efficiency solution-processed perovskite solar cells with millimeter-scale grains. Science (New York, N.Y.). 347: 522-5. PMID 25635093 DOI: 10.1126/science.aaa0472  1
2015 Yan H, Chuang C, Zhugayevych A, Tretiak S, Dahlquist FW, Bazan GC. Inter-aromatic distances in Geobacter sulfurreducens pili relevant to biofilm charge transport. Advanced Materials (Deerfield Beach, Fla.). 27: 1908-11. PMID 25604785 DOI: 10.1002/adma.201404167  1
2015 Zhugayevych A, Tretiak S. Theoretical description of structural and electronic properties of organic photovoltaic materials. Annual Review of Physical Chemistry. 66: 305-30. PMID 25580623 DOI: 10.1146/annurev-physchem-040214-121440  1
2015 Alfonso Hernandez L, Nelson T, Tretiak S, Fernandez-Alberti S. Photoexcited Energy Transfer in a Weakly Coupled Dimer. The Journal of Physical Chemistry. B. 119: 7242-52. PMID 25523832 DOI: 10.1021/jp510557f  1
2015 Bjorgaard JA, Velizhanin KA, Tretiak S. Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients Journal of Chemical Physics. 143. DOI: 10.1063/1.4927167  1
2015 Bjorgaard JA, Kuzmenko V, Velizhanin KA, Tretiak S. Solvent effects in time-dependent self-consistent field methods. I. Optical response calculations Journal of Chemical Physics. 142. DOI: 10.1063/1.4905828  1
2015 Park YI, Postupna O, Zhugayevych A, Shin H, Park YS, Kim B, Yen HJ, Cheruku P, Martinez JS, Park JW, Tretiak S, Wang HL. A new pH sensitive fluorescent and white light emissive material through controlled intermolecular charge transfer Chemical Science. 6: 789-797. DOI: 10.1039/c4sc01911c  1
2015 Chen H, Golder MR, Wang F, Doorn SK, Jasti R, Tretiak S, Swan AK. Raman-active modes of even-numbered cycloparaphenylenes: Comparisons between experiments and density functional theory (DFT) calculations with group theory arguments Journal of Physical Chemistry C. 119: 2879-2887. DOI: 10.1021/jp5117195  1
2015 Sampat S, Mohite AD, Crone B, Tretiak S, Malko AV, Taylor AJ, Yarotski DA. Tunable charge transfer dynamics at tetracene/LiF/C60 interfaces Journal of Physical Chemistry C. 119: 1286-1290. DOI: 10.1021/jp5095905  1
2015 Kilina S, Kilin D, Tretiak S. Light-Driven and Phonon-Assisted Dynamics in Organic and Semiconductor Nanostructures Chemical Reviews. 115: 5929-5978. DOI: 10.1021/acs.chemrev.5b00012  1
2015 Bjorgaard JA, Nelson T, Kalinin K, Kuzmenko V, Velizhanin KA, Tretiak S. Simulations of fluorescence solvatochromism in substituted PPV oligomers from excited state molecular dynamics with implicit solvent Chemical Physics Letters. 631: 66-69. DOI: 10.1016/j.cplett.2015.04.030  1
2014 Li H, Nieman R, Aquino AJ, Lischka H, Tretiak S. Comparison of LC-TDDFT and ADC(2) Methods in Computations of Bright and Charge Transfer States in Stacked Oligothiophenes. Journal of Chemical Theory and Computation. 10: 3280-9. PMID 26588297 DOI: 10.1021/ct500072f  1
2014 Kilina S, Cui P, Fischer SA, Tretiak S. Conditions for Directional Charge Transfer in CdSe Quantum Dots Functionalized by Ru(II) Polypyridine Complexes. The Journal of Physical Chemistry Letters. 5: 3565-76. PMID 26278611 DOI: 10.1021/jz502017u  0.56
2014 Shi T, Li H, Tretiak S, Chernyak VY. How Geometric Distortions Scatter Electronic Excitations in Conjugated Macromolecules. The Journal of Physical Chemistry Letters. 5: 3946-52. PMID 26276475 DOI: 10.1021/jz501912d  1
2014 Li H, Catanzaro MJ, Tretiak S, Chernyak VY. Excited-State Structure Modifications Due to Molecular Substituents and Exciton Scattering in Conjugated Molecules. The Journal of Physical Chemistry Letters. 5: 641-7. PMID 26270830 DOI: 10.1021/jz4027198  1
2014 Makarov NS, Lau PC, Olson C, Velizhanin KA, Solntsev KM, Kieu K, Kilina S, Tretiak S, Norwood RA, Peyghambarian N, Perry JW. Two-photon absorption in CdSe colloidal quantum dots compared to organic molecules. Acs Nano. 8: 12572-86. PMID 25427158 DOI: 10.1021/nn505428x  1
2014 White AJ, Gorshkov VN, Wang R, Tretiak S, Mozyrsky D. Semiclassical Monte Carlo: a first principles approach to non-adiabatic molecular dynamics. The Journal of Chemical Physics. 141: 184101. PMID 25399126 DOI: 10.1063/1.4900988  1
2014 Adamska L, Nayyar I, Chen H, Swan AK, Oldani N, Fernandez-Alberti S, Golder MR, Jasti R, Doorn SK, Tretiak S. Self-trapping of excitons, violation of Condon approximation, and efficient fluorescence in conjugated cycloparaphenylenes. Nano Letters. 14: 6539-46. PMID 25310514 DOI: 10.1021/nl503133e  1
2014 Ma X, Adamska L, Yamaguchi H, Yalcin SE, Tretiak S, Doorn SK, Htoon H. Electronic structure and chemical nature of oxygen dopant states in carbon nanotubes. Acs Nano. 8: 10782-9. PMID 25265272 DOI: 10.1021/nn504553y  1
2014 Soler MA, Nelson T, Roitberg AE, Tretiak S, Fernandez-Alberti S. Signature of nonadiabatic coupling in excited-state vibrational modes. The Journal of Physical Chemistry. A. 118: 10372-9. PMID 24844735 DOI: 10.1021/jp503350k  1
2014 Nelson T, Fernandez-Alberti S, Roitberg AE, Tretiak S. Nonadiabatic excited-state molecular dynamics: modeling photophysics in organic conjugated materials. Accounts of Chemical Research. 47: 1155-64. PMID 24673100 DOI: 10.1021/ar400263p  1
2014 Lai LF, Love JA, Sharenko A, Coughlin JE, Gupta V, Tretiak S, Nguyen TQ, Wong WY, Bazan GC. Topological considerations for the design of molecular donors with multiple absorbing units. Journal of the American Chemical Society. 136: 5591-4. PMID 24655050 DOI: 10.1021/ja501711m  1
2014 White AJ, Tretiak S, Galperin M. Raman scattering in molecular junctions: a pseudoparticle formulation. Nano Letters. 14: 699-703. PMID 24447295 DOI: 10.1021/nl4039532  1
2014 Crooker SA, Liu F, Kelley MR, Martinez NJD, Nie W, Mohite A, Nayyar IH, Tretiak S, Smith DL, Ruden PP. Spectrally resolved hyperfine interactions between polaron and nuclear spins in organic light emitting diodes: Magneto-electroluminescence studies Applied Physics Letters. 105. DOI: 10.1063/1.4898700  1
2014 Oldani N, Tretiak S, Bazan G, Fernandez-Alberti S. Modeling of internal conversion in photoexcited conjugated molecular donors used in organic photovoltaics Energy and Environmental Science. 7: 1175-1184. DOI: 10.1039/c3ee43170c  1
2014 Van Der Poll TS, Zhugayevych A, Chertkov E, Bakus RC, Coughlin JE, Teat SJ, Bazan GC, Tretiak S. Polymorphism of crystalline molecular donors for solution-processed organic photovoltaics Journal of Physical Chemistry Letters. 5: 2700-2704. DOI: 10.1021/jz5012675  1
2014 Coughlin JE, Zhugayevych A, Bakus RC, Van Der Poll TS, Welch GC, Teat SJ, Bazan GC, Tretiak S. A combined experimental and theoretical study of conformational preferences of molecular semiconductors Journal of Physical Chemistry C. 118: 15610-15623. DOI: 10.1021/jp506172a  1
2014 Ondarse-Alvarez D, Oldani N, Tretiak S, Fernandez-Alberti S. Computational study of photoexcited dynamics in bichromophoric cross-shaped oligofluorene Journal of Physical Chemistry A. 118: 10742-10753. DOI: 10.1021/jp504720n  1
2013 Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL. Role of Geometric Distortion and Polarization in Localizing Electronic Excitations in Conjugated Polymers. Journal of Chemical Theory and Computation. 9: 1144-54. PMID 26588757 DOI: 10.1021/ct300837d  0.6
2013 Kilina S, Dandu N, Batista ER, Saxena A, Martin RL, Smith DL, Tretiak S. Effect of Packing on Formation of Deep Carrier Traps in Amorphous Conjugated Polymers. The Journal of Physical Chemistry Letters. 4: 1453-9. PMID 26282298 DOI: 10.1021/jz4003197  0.6
2013 Sheng CX, Singh S, Gambetta A, Drori T, Tong M, Tretiak S, Vardeny ZV. Ultrafast intersystem-crossing in platinum containing π-conjugated polymers with tunable spin-orbit coupling. Scientific Reports. 3: 2653. PMID 24030602 DOI: 10.1038/srep02653  1
2013 Li H, Malinin SV, Tretiak S, Chernyak VY. Effective tight-binding models for excitons in branched conjugated molecules. The Journal of Chemical Physics. 139: 064109. PMID 23947845 DOI: 10.1063/1.4818156  1
2013 Gorshkov VN, Tretiak S, Mozyrsky D. Semiclassical Monte-Carlo approach for modelling non-adiabatic dynamics in extended molecules. Nature Communications. 4: 2144. PMID 23864100 DOI: 10.1038/ncomms3144  0.44
2013 Nelson T, Fernandez-Alberti S, Roitberg AE, Tretiak S. Nonadiabatic excited-state molecular dynamics: treatment of electronic decoherence. The Journal of Chemical Physics. 138: 224111. PMID 23781787 DOI: 10.1063/1.4809568  1
2013 Nelson T, Fernandez-Alberti S, Roitberg AE, Tretiak S. Conformational disorder in energy transfer: beyond Förster theory. Physical Chemistry Chemical Physics : Pccp. 15: 9245-56. PMID 23657784 DOI: 10.1039/c3cp50857a  1
2013 Park YI, Kuo CY, Martinez JS, Park YS, Postupna O, Zhugayevych A, Kim S, Park J, Tretiak S, Wang HL. Tailored electronic structure and optical properties of conjugated systems through aggregates and dipole-dipole interactions. Acs Applied Materials & Interfaces. 5: 4685-95. PMID 23607446 DOI: 10.1021/am400766w  1
2013 Duque JG, Oudjedi L, Crochet JJ, Tretiak S, Lounis B, Doorn SK, Cognet L. Mechanism of electrolyte-induced brightening in single-wall carbon nanotubes. Journal of the American Chemical Society. 135: 3379-82. PMID 23421604 DOI: 10.1021/ja4001757  1
2013 Chen J, Schmitz A, Inerbaev T, Meng Q, Kilina S, Tretiak S, Kilin DS. First-principles study of p-n-doped silicon quantum dots: Charge transfer, energy dissipation, and time-resolved emission Journal of Physical Chemistry Letters. 4: 2906-2913. DOI: 10.1021/jz400760h  0.56
2013 Kilina S, Dandu N, Batista ER, Saxena A, Martin RL, Smith DL, Tretiak S. Effect of packing on formation of deep carrier traps in amorphous conjugated polymers Journal of Physical Chemistry Letters. 4: 1453-1459. DOI: 10.1021/jz4003197  1
2013 Nayyar IH, Masunov AE, Tretiak S. Comparison of TD-DFT methods for the calculation of two-photon absorption spectra of oligophenylvinylenes Journal of Physical Chemistry C. 117: 18170-18189. DOI: 10.1021/jp403981d  0.6
2013 Zhugayevych A, Postupna O, Bakus RC, Welch GC, Bazan GC, Tretiak S. Ab initio study of a molecular crystal for photovoltaics: Light absorption, exciton and charge carrier transport Journal of Physical Chemistry C. 117: 4920-4930. DOI: 10.1021/jp310855p  1
2013 Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL. Role of geometric distortion and polarization in localizing electronic excitations in conjugated polymers Journal of Chemical Theory and Computation. 9: 1144-1154. DOI: 10.1021/ct300837d  1
2013 Nelson T, Fernandez-Alberti S, Roitberg AE, Tretiak S. Artifacts due to trivial unavoided crossings in the modeling of photoinduced energy transfer dynamics in extended conjugated molecules Chemical Physics Letters. 590: 208-213. DOI: 10.1016/j.cplett.2013.10.052  1
2013 Ramirez J, Mayo ML, Kilina S, Tretiak S. Electronic structure and optical spectra of semiconducting carbon nanotubes functionalized by diazonium salts Chemical Physics. 413: 89-101. DOI: 10.1016/j.chemphys.2012.10.010  1
2013 Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL. Effect of trans- and cis-isomeric defects on the localization of the charged excitations in π-conjugated organic polymers Journal of Polymer Science, Part B: Polymer Physics. 51: 935-942. DOI: 10.1002/polb.23291  1
2012 Li H, Chernyak VY, Tretiak S. Natural Atomic Orbital Representation for Optical Spectra Calculations in the Exciton Scattering Approach. The Journal of Physical Chemistry Letters. 3: 3734-9. PMID 26291103 DOI: 10.1021/jz301521p  1
2012 Fernandez-Alberti S, Roitberg AE, Kleiman VD, Nelson T, Tretiak S. Shishiodoshi unidirectional energy transfer mechanism in phenylene ethynylene dendrimers. The Journal of Chemical Physics. 137: 22A526. PMID 23249063 DOI: 10.1063/1.4745835  1
2012 Soler MA, Roitberg AE, Nelson T, Tretiak S, Fernandez-Alberti S. Analysis of state-specific vibrations coupled to the unidirectional energy transfer in conjugated dendrimers. The Journal of Physical Chemistry. A. 116: 9802-10. PMID 22985079 DOI: 10.1021/jp301293e  1
2012 Fernandez-Alberti S, Roitberg AE, Nelson T, Tretiak S. Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules. The Journal of Chemical Physics. 137: 014512. PMID 22779670 DOI: 10.1063/1.4732536  1
2012 Kilina S, Velizhanin KA, Ivanov S, Prezhdo OV, Tretiak S. Surface ligands increase photoexcitation relaxation rates in CdSe quantum dots. Acs Nano. 6: 6515-24. PMID 22742432 DOI: 10.1021/nn302371q  0.96
2012 Kilina S, Ramirez J, Tretiak S. Brightening of the lowest exciton in carbon nanotubes via chemical functionalization. Nano Letters. 12: 2306-12. PMID 22494501 DOI: 10.1021/nl300165w  1
2012 Nelson T, Fernandez-Alberti S, Chernyak V, Roitberg AE, Tretiak S. Nonadiabatic excited-state molecular dynamics: numerical tests of convergence and parameters. The Journal of Chemical Physics. 136: 054108. PMID 22320726 DOI: 10.1063/1.3680565  1
2012 Fischer SA, Crotty AM, Kilina SV, Ivanov SA, Tretiak S. Passivating ligand and solvent contributions to the electronic properties of semiconductor nanocrystals. Nanoscale. 4: 904-14. PMID 22170563 DOI: 10.1039/c2nr11398h  1
2012 Clark J, Nelson T, Tretiak S, Cirmi G, Lanzani G. Femtosecond torsional relaxation Nature Physics. 8: 225-231. DOI: 10.1038/nphys2210  1
2012 Kilina S, Velizhanin KA, Ivanov S, Prezhdo OV, Tretiak S. Surface ligands increase photoexcitation relaxation rates in Cdse quantum dots Acs Nano. 6: 6515-6524. DOI: 10.1021/nn302371q  1
2012 Furmanchuk A, Leszczynski J, Tretiak S, Kilina SV. Morphology and optical response of carbon nanotubes functionalized by conjugated polymers Journal of Physical Chemistry C. 116: 6831-6840. DOI: 10.1021/jp211541q  1
2012 Goel S, Velizhanin KA, Piryatinski A, Ivanov SA, Tretiak S. Ligand effects on optical properties of small gold clusters: A TDDFT study Journal of Physical Chemistry C. 116: 3242-3249. DOI: 10.1021/jp208732k  1
2011 Koposov AY, Cardolaccia T, Albert V, Badaeva E, Kilina S, Meyer TJ, Tretiak S, Sykora M. Formation of assemblies comprising Ru-polypyridine complexes and CdSe nanocrystals studied by ATR-FTIR spectroscopy and DFT modeling Langmuir. 27: 8377-8383. PMID 21627143 DOI: 10.1021/la200531s  1
2011 Duque JG, Chen H, Swan AK, Shreve AP, Kilina S, Tretiak S, Tu X, Zheng M, Doorn SK. Violation of the condon approximation in semiconducting carbon nanotubes. Acs Nano. 5: 5233-41. PMID 21612303 DOI: 10.1021/nn201430z  1
2011 Kilina S, Yarotski DA, Talin AA, Tretiak S, Taylor AJ, Balatsky AV. Unveiling Stability Criteria of DNA-Carbon Nanotubes Constructs by Scanning Tunneling Microscopy and Computational Modeling. Journal of Drug Delivery. 2011: 415621. PMID 21603210 DOI: 10.1155/2011/415621  0.56
2011 Chernyak VY, Knoester J, Tretiak S. Tribute to Shaul Mukamel. The Journal of Physical Chemistry. B. 115: 5037-8. PMID 21542650 DOI: 10.1021/jp202931j  1
2011 Nelson T, Fernandez-Alberti S, Chernyak V, Roitberg AE, Tretiak S. Nonadiabatic excited-state molecular dynamics modeling of photoinduced dynamics in conjugated molecules. The Journal of Physical Chemistry. B. 115: 5402-14. PMID 21218841 DOI: 10.1021/jp109522g  1
2011 Li H, Wu C, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering on symmetric branching centers in conjugated molecules. The Journal of Physical Chemistry. B. 115: 5465-75. PMID 21194223 DOI: 10.1021/jp110317d  1
2011 Wettach H, Höger S, Chaudhuri D, Lupton JM, Liu F, Lupton EM, Tretiak S, Wang G, Li M, De Feyter S, Fischer S, Förster S. Synthesis and properties of a triphenylene-butadiynylene macrocycle Journal of Materials Chemistry. 21: 1404-1415. DOI: 10.1039/c0jm02150d  1
2011 Nayyar IH, Batista ER, Tretiak S, Saxena A, Smith DL, Martin RL. Localization of electronic excitations in conjugated polymers studied by DFT Journal of Physical Chemistry Letters. 2: 566-571. DOI: 10.1021/jz101740w  1
2011 Albert VV, Ivanov SA, Tretiak S, Kilina SV. Electronic structure of ligated cdse clusters: Dependence on DFT methodology Journal of Physical Chemistry C. 115: 15793-15800. DOI: 10.1021/jp202510z  1
2011 Albert VV, Badaeva E, Kilina S, Sykora M, Tretiak S. The Frenkel exciton Hamiltonian for functionalized Ru(II)-bpy complexes Journal of Luminescence. 131: 1739-1746. DOI: 10.1016/j.jlumin.2011.04.009  1
2011 Yang P, Tretiak S, Ivanov S. Influence of Surfactants and Charges on CdSe Quantum Dots Journal of Cluster Science. 22: 405-431. DOI: 10.1007/s10876-011-0398-y  1
2011 Kobayashi T, Du J, Feng W, Yoshino K, Tretiak S, Saxena A, Bishop AR. Observation of breather and soliton in a substituted polythiophene with a degenerate ground state Physica Status Solidi (C) Current Topics in Solid State Physics. 8: 74-79. DOI: 10.1002/pssc.201000351  1
2011 Tretiak S. Modeling of photoinduced relaxation pathways in conjugated polymers Acs National Meeting Book of Abstracts 1
2011 Litichevskyi V, Galkin S, Lalaiants O, Voronkin E, Breslavskiy I, Tretiak S, Kosinov N. Scintillation panels based on zinc selenide and oxide scintillators Functional Materials. 18: 391-397.  1
2010 Katan C, Blanchard-Desce M, Tretiak S. Position Isomerism on One and Two Photon Absorption in Multibranched Chromophores: A TDDFT Investigation. Journal of Chemical Theory and Computation. 6: 3410-26. PMID 26617095 DOI: 10.1021/ct1004406  1
2010 Badaeva E, Harpham MR, Guda R, Süzer Ö, Ma CQ, Bäuerle P, Goodson T, Tretiak S. Excited-state structure of oligothiophene dendrimers: computational and experimental study. The Journal of Physical Chemistry. B. 114: 15808-17. PMID 21077602 DOI: 10.1021/jp109624d  1
2010 Badaeva E, Albert VV, Kilina S, Koposov A, Sykora M, Tretiak S. Effect of deprotonation on absorption and emission spectra of Ru(II)-bpy complexes functionalized with carboxyl groups. Physical Chemistry Chemical Physics : Pccp. 12: 8902-13. PMID 20556275 DOI: 10.1039/b924910a  1
2010 Li H, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering approach for branched conjugated molecules and complexes. IV. Transition dipoles and optical spectra. The Journal of Chemical Physics. 132: 124103. PMID 20370110 DOI: 10.1063/1.3366521  1
2010 Katan C, Charlot M, Mongin O, Le Droumaguet C, Jouikov V, Terenziani F, Badaeva E, Tretiak S, Blanchard-Desce M. Simultaneous control of emission localization and two-photon absorption efficiency in dissymmetrical chromophores. The Journal of Physical Chemistry. B. 114: 3152-69. PMID 20163097 DOI: 10.1021/jp911445m  1
2010 Tao J, Tretiak S, Zhu JX. Prediction of excitation energies for conjugated oligomers and polymers from time-dependent density functional theor Materials. 3: 3430-3467. DOI: 10.3390/ma3053430  1
2010 Katan C, Tretiak S, Even J. Two-photon transitions in triazole based quadrupolar and octupolar chromophores: A TD-DFT investigation Proceedings of Spie - the International Society For Optical Engineering. 7712. DOI: 10.1117/12.862574  1
2010 Kobayashi T, Du J, Feng W, Yoshino K, Tretiak S, Saxena A, Bishop AR. Observation of breather excitons and soliton in a substituted polythiophene with a degenerate ground state Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.075205  1
2010 Duque JG, Chen H, Kilina S, Tretiak S, Shreve A, Tu X, Zheng M, Swan A, Doorn SK. Resonant Raman spectroscopy of chirality-enriched semiconducting single walled carbon nanotubes Aip Conference Proceedings. 1267: 79-80. DOI: 10.1063/1.3482819  1
2010 Li H, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering approach for branched conjugated molecules and complexes. IV. Transition dipoles and optical spectra Journal of Chemical Physics. 132. DOI: 10.1063/1.3366521  1
2010 Li H, Wu C, Malinin SV, Tretiak S, Chernyak VY. Excited states of donor and acceptor substituted conjugated oligomers: A perspective from the exciton scattering approach Journal of Physical Chemistry Letters. 1: 3396-3400. DOI: 10.1021/jz1013533  1
2010 Fernandez-Alberti S, Kleiman VD, Tretiak S, Roitberg AE. Unidirectional energy transfer in conjugated molecules: The crucial role of high-frequency C ≡ C bonds Journal of Physical Chemistry Letters. 1: 2699-2704. DOI: 10.1021/jz100794z  1
2010 Goel S, A.Velizhanin K, Piryatinski A, Tretiak S, Ivanov SA. DFT study of ligand binding to small gold clusters satyende Journal of Physical Chemistry Letters. 1: 927-931. DOI: 10.1021/jz1000193  1
2009 Tao J, Tretiak S. Optical Absorptions of New Blue-Light Emitting Oligoquinolines Bearing Pyrenyl and Triphenyl Endgroups Investigated with Time-Dependent Density Functional Theory. Journal of Chemical Theory and Computation. 5: 866-72. PMID 26609594 DOI: 10.1021/ct800523j  1
2009 Körzdörfer T, Tretiak S, Kümmel S. Fluorescence quenching in an organic donor-acceptor dyad: A first principles study Journal of Chemical Physics. 131. PMID 19624200 DOI: 10.1063/1.3160666  1
2009 Kilina S, Badaeva E, Piryatinski A, Tretiak S, Saxena A, Bishop AR. Bright and dark excitons in semiconductor carbon nanotubes: insights from electronic structure calculations. Physical Chemistry Chemical Physics : Pccp. 11: 4113-23. PMID 19458812 DOI: 10.1039/b818473a  1
2009 Kilina S, Ivanov S, Tretiak S. Effect of surface ligands on optical and electronic spectra of semiconductor nanoclusters. Journal of the American Chemical Society. 131: 7717-26. PMID 19425603 DOI: 10.1021/ja9005749  0.56
2009 Fernandez-Alberti S, Kleiman VD, Tretiak S, Roitberg AE. Nonadiabatic molecular dynamics simulations of the energy transfer between building blocks in a phenylene ethynylene dendrimer. The Journal of Physical Chemistry. A. 113: 7535-42. PMID 19378966 DOI: 10.1021/jp900904q  1
2009 Thorsmølle VK, Averitt RD, Demsar J, Smith DL, Tretiak S, Martin RL, Chi X, Crone BK, Ramirez AP, Taylor AJ. Morphology effectively controls singlet-triplet exciton relaxation and charge transport in organic semiconductors. Physical Review Letters. 102: 017401. PMID 19257238  0.6
2009 Wong CY, Curutchet C, Tretiak S, Scholes GD. Ideal dipole approximation fails to predict electronic coupling and energy transfer between semiconducting single-wall carbon nanotubes. The Journal of Chemical Physics. 130: 081104. PMID 19256589 DOI: 10.1063/1.3088846  1
2009 Tretiak S, Isborn CM, Niklasson AM, Challacombe M. Representation independent algorithms for molecular response calculations in time-dependent self-consistent field theories. The Journal of Chemical Physics. 130: 054111. PMID 19206962 DOI: 10.1063/1.3068658  1
2009 Yarotski DA, Kilina SV, Talin AA, Tretiak S, Prezhdo OV, Balatsky AV, Taylor AJ. Scanning tunneling microscopy of DNA-wrapped carbon nanotubes. Nano Letters. 9: 12-7. PMID 19086808 DOI: 10.1021/nl801455t  1
2009 Thorsmølle VK, Averitt RD, Demsar J, Smith DL, Tretiak S, Martin RL, Chi X, Crone BK, Ramirez AP, Taylor AJ. Morphology effectively controls singlet-triplet exciton relaxation and charge transport in organic semiconductors Physical Review Letters. 102. DOI: 10.1103/PhysRevLett.102.017401  1
2009 Tao J, Tretiak S, Zhu JX. Prediction of excitation energies for conjugated polymers using time-dependent density functional theory Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.235110  1
2009 Kilina S, Ivanov S, Tretiak S. Effect of surface ligands on optical and electronic spectra of semiconductor nanoclusters Journal of the American Chemical Society. 131: 7717-7726. DOI: 10.1021/ja9005749  1
2009 Thorsmølle VK, Averitt RD, Demsar J, Smith DL, Tretiak S, Martin RL, Chi X, Crone BK, Ramirez AP, Taylor AJ. Photoexcited carrier relaxation dynamics in pentacene probed by ultrafast optical spectroscopy: Influence of morphology on relaxation processes Physica B: Condensed Matter. 404: 3127-3130. DOI: 10.1016/j.physb.2009.07.063  1
2009 Kilina SV, Ivanov SA, Tretiak S. The effect of surface ligands on optical and electronic spectra of semiconductor nanoclusters Acs National Meeting Book of Abstracts 1
2008 Kilina S, Batista ER, Yang P, Tretiak S, Saxena A, Martin RL, Smith DL. Electronic structure of self-assembled amorphous polyfluorenes. Acs Nano. 2: 1381-8. PMID 19206305 DOI: 10.1021/nn800204m  1
2008 Wu C, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering approach for branched conjugated molecules and complexes. III. Applications. The Journal of Chemical Physics. 129: 174113. PMID 19045339 DOI: 10.1063/1.3005649  1
2008 Wu C, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering approach for branched conjugated molecules and complexes. II. Extraction of the exciton scattering parameters from quantum-chemical calculations. The Journal of Chemical Physics. 129: 174112. PMID 19045338 DOI: 10.1063/1.3005648  1
2008 Wu C, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering approach for branched conjugated molecules and complexes. I. Formalism. The Journal of Chemical Physics. 129: 174111. PMID 19045337 DOI: 10.1063/1.3005647  1
2008 Yang P, Tretiak S, Masunov AE, Ivanov S. Quantum chemistry of the minimal CdSe clusters Journal of Chemical Physics. 129. PMID 19044794 DOI: 10.1063/1.2965532  1
2008 Tao J, Tretiak S, Zhu JX. Absorption spectra of blue-light-emitting oligoquinolines from time-dependent density functional theory. The Journal of Physical Chemistry. B. 112: 13701-10. PMID 18844398 DOI: 10.1021/jp804687j  1
2008 Lucero MJ, Niklasson AM, Tretiak S, Challacombe M. Molecular-orbital-free algorithm for excited states in time-dependent perturbation theory. The Journal of Chemical Physics. 129: 064114. PMID 18715058 DOI: 10.1063/1.2965535  1
2008 Kilina S, Tretiak S, Doorn SK, Luo Z, Papadimitrakopoulos F, Piryatinski A, Saxena A, Bishop AR. Cross-polarized excitons in carbon nanotubes. Proceedings of the National Academy of Sciences of the United States of America. 105: 6797-802. PMID 18463293 DOI: 10.1073/pnas.0711646105  1
2008 Galperin M, Tretiak S. Linear optical response of current-carrying molecular junction: a nonequilibrium Green's function-time-dependent density functional theory approach. The Journal of Chemical Physics. 128: 124705. PMID 18376958 DOI: 10.1063/1.2876011  1
2008 Wu C, Malinin SV, Tretiak S, Chernyak VY. Multiscale modeling of electronic excitations in branched conjugated molecules using an exciton scattering approach. Physical Review Letters. 100: 057405. PMID 18352429 DOI: 10.1103/PhysRevLett.100.057405  1
2008 Tao J, Tretiak S, Zhu JX. Performance of a nonempirical meta-generalized gradient approximation density functional for excitation energies. The Journal of Chemical Physics. 128: 084110. PMID 18315036 DOI: 10.1063/1.2837831  1
2008 Becker K, Da Como E, Feldmann J, Scheliga F, Csányi ET, Tretiak S, Lupton JM. How chromophore shape determines the spectroscopy of phenylene-vinylenes: Origin of spectral broadening in the absence of aggregation Journal of Physical Chemistry B. 112: 4859-4864. DOI: 10.1021/jp800870p  1
2008 Badaeva E, Tretiak S. Two photon absorption of extended substituted phenylenevinylene oligomers: A TDDFT study Chemical Physics Letters. 450: 322-328. DOI: 10.1016/j.cplett.2007.10.108  1
2008 Piryatinski A, Tretiak S, Chernyak VY. Dynamical variational approach to non-adiabatic electronic structure Chemical Physics. 347: 25-38. DOI: 10.1016/j.chemphys.2008.01.010  1
2008 Terenziani F, Katan C, Badaeva E, Tretiak S, Blanchara-Desce M. Enhanced two-photon absorption of organic chromophores: Theoretical and experimental assessments Advanced Materials. 20: 4641-4678. DOI: 10.1002/adma.200800402  1
2007 Magyar RJ, Tretiak S. Dependence of Spurious Charge-Transfer Excited States on Orbital Exchange in TDDFT:  Large Molecules and Clusters. Journal of Chemical Theory and Computation. 3: 976-87. PMID 26627417 DOI: 10.1021/ct600282k  1
2007 Igumenshchev KI, Tretiak S, Chernyak VY. Excitonic effects in a time-dependent density functional theory. The Journal of Chemical Physics. 127: 114902. PMID 17887875 DOI: 10.1063/1.2773727  1
2007 Ivanov SA, Piryatinski A, Nanda J, Tretiak S, Zavadil KR, Wallace WO, Werder D, Klimov VI. Type-II core/shell CdS/ZnSe nanocrystals: synthesis, electronic structures, and spectroscopic properties. Journal of the American Chemical Society. 129: 11708-19. PMID 17727285 DOI: 10.1021/ja068351m  1
2007 Katan C, Tretiak S, Werts MH, Bain AJ, Marsh RJ, Leonczek N, Nicolaou N, Badaeva E, Mongin O, Blanchard-Desce M. Two-photon transitions in quadrupolar and branched chromophores: experiment and theory. The Journal of Physical Chemistry. B. 111: 9468-83. PMID 17658741 DOI: 10.1021/jp071069x  1
2007 Tretiak S. Triplet state absorption in carbon nanotubes: a TD-DFT study. Nano Letters. 7: 2201-6. PMID 17497817 DOI: 10.1021/nl070355h  1
2007 Araujo PT, Doorn SK, Kilina S, Tretiak S, Einarsson E, Maruyama S, Chacham H, Pimenta MA, Jorio A. Third and fourth optical transitions in semiconducting carbon nanotubes. Physical Review Letters. 98: 067401. PMID 17358983 DOI: 10.1103/PhysRevLett.98.067401  1
2007 Shreve AP, Haroz EH, Bachilo SM, Weisman RB, Tretiak S, Kilina S, Doorn SK. Determination of exciton-phonon coupling elements in single-walled carbon nanotubes by Raman overtone analysis. Physical Review Letters. 98: 037405. PMID 17358727 DOI: 10.1103/PhysRevLett.98.037405  1
2007 Piryatinski A, Ivanov SA, Tretiak S, Klimov VI. Effect of quantum and dielectric confinement on the exciton-exciton interaction energy in type II core/shell semiconductor nanocrystals. Nano Letters. 7: 108-15. PMID 17212448 DOI: 10.1021/nl0622404  1
2007 Tretiak S, Kilina S, Piryatinski A, Saxena A, Martin RL, Bishop AR. Excitons and Peierls distortion in conjugated carbon nanotubes. Nano Letters. 7: 86-92. PMID 17212445 DOI: 10.1021/nl0622000  1
2007 Yang P, Batista ER, Tretiak S, Saxena A, Martin RL, Smith DL. Effect of intramolecular disorder and intermolecular electronic interactions on the electronic structure of poly-p-phenylene vinylene Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/PhysRevB.76.241201  1
2007 Piryatinski A, Tretiak S, Sewell TD, McGrane SD. Vibrational spectroscopy of polyatomic materials: Semiempirical calculations of anharmonic couplings and infrared and Raman linewidths in naphthalene and PETN crystals Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.214306  1
2007 Scholes GD, Tretiak S, McDonald TJ, Metzger WK, Engtrakul C, Rumbles G, Heben MJ. Low-lying exciton states determine the photophysics of semiconducting single wall carbon nanotubes Journal of Physical Chemistry C. 111: 11139-11149. DOI: 10.1021/jp068541j  1
2007 Tang Z, Johal MS, Scudder P, Caculitan N, Magyar RJ, Tretiak S, Wang HL. Study of the non-covalent interactions in Langmuir-Blodgett films: An interplay between π-π and dipole-dipole interactions Thin Solid Films. 516: 58-66. DOI: 10.1016/j.tsf.2007.04.149  1
2007 Tamulis A, Tsifrinovich VI, Tretiak S, Berman GP, Allara DL. Neutral radical molecules ordered in self-assembled monolayer systems for quantum information processing Chemical Physics Letters. 436: 144-149. DOI: 10.1016/j.cplett.2007.01.007  1
2007 Wu C, Tretiak S, Chernyak VY. Excited states and optical response of a donor-acceptor substituted polyene: A TD-DFT study Chemical Physics Letters. 433: 305-311. DOI: 10.1016/j.cplett.2006.11.069  1
2007 Manzoni C, Gambetta A, Cerullo G, Lanzani G, Menna E, Meneghetti M, Tretiak S, Piryatinski A, Saxena A, Martin RL, Bishop AR. Real time observation of non-linear coherent phonon dynamics in semiconducting single wall carbon nanotubes Springer Series in Chemical Physics. 88: 695-697. DOI: 10.1007/978-3-540-68781-8-223  1
2007 Kilina S, Tretiak S. Excitonic and vibrational properties of single-walled semiconducting carbon nanotubes Advanced Functional Materials. 17: 3405-3420. DOI: 10.1002/adfm.200700314  1
2006 Tang Z, Hicks RK, Magyar RJ, Tretiak S, Gao Y, Wang HL. Synthesis and characterization of amphiphilic phenylene ethynylene oligomers and their Langmuir-Blodgett films. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 8813-20. PMID 17014122 DOI: 10.1021/la060914k  1
2006 Kauffman JF, Turner JM, Alabugin IV, Breiner B, Kovalenko SV, Badaeva EA, Masunov A, Tretiak S. Two-photon excitation of substituted enediynes. The Journal of Physical Chemistry. A. 110: 241-51. PMID 16392861 DOI: 10.1021/jp056127y  1
2006 Nanda J, Ivanov SA, Htoon H, Bezel I, Piryatinski A, Tretiak S, Klimov VI. Absorption cross sections and Auger recombination lifetimes in inverted core-shell nanocrystals: Implications for lasing performance Journal of Applied Physics. 99. DOI: 10.1063/1.2168032  1
2006 Wu C, Malinin SV, Tretiak S, Chernyak VY. Exciton scattering and localization in branched dendrimeric structures Nature Physics. 2: 631-635. DOI: 10.1038/nphys389  1
2006 Gambetta A, Manzoni C, Menna E, Meneghetti M, Cerullo G, Lanzani G, Tretiak S, Piryatinski A, Saxena A, Martin RL, Bishop AR. Real-time observation of nonlinear coherent phonon dynamics in single-walled carbon nanotubes Nature Physics. 2: 515-520. DOI: 10.1038/nphys345  1
2005 Badaeva EA, Timofeeva TV, Masunov A, Tretiak S. Role of donor-acceptor strengths and separation on the two-photon absorption response of cytotoxic dyes: a TD-DFT study. The Journal of Physical Chemistry. A. 109: 7276-84. PMID 16834093 DOI: 10.1021/jp0521510  1
2005 Katan C, Terenziani F, Mongin O, Werts MH, Porrès L, Pons T, Mertz J, Tretiak S, Blanchard-Desce M. Effects of (multi)branching of dipolar chromophores on photophysical properties and two-photon absorption. The Journal of Physical Chemistry. A. 109: 3024-37. PMID 16833626 DOI: 10.1021/jp044193e  1
2005 Piryatinski A, Stepanov M, Tretiak S, Chernyak V. Semiclassical scattering on conical intersections. Physical Review Letters. 95: 223001. PMID 16384213 DOI: 10.1103/PhysRevLett.95.223001  1
2005 Masunov A, Tretiak S, Hong JW, Liu B, Bazan GC. Theoretical study of the effects of solvent environment on photophysical properties and electronic structure of paracyclophane chromophores. The Journal of Chemical Physics. 122: 224505. PMID 15974689 DOI: 10.1063/1.1878732  1
2005 Katan C, Terenziani F, Droumaguet CL, Mongin O, Werts MHV, Tretiak S, Blanchard-Desce M. Branching of dipolar chromophores: Effects on linear and nonlinear optical properties Proceedings of Spie - the International Society For Optical Engineering. 5935: 1-15. DOI: 10.1117/12.618464  1
2005 Tretiak S, Igumenshchev K, Chernyak V. Exciton sizes of conducting polymers predicted by time-dependent density functional theory Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/PhysRevB.71.033201  1
2005 Magyar RJ, Tretiak S, Gao Y, Wang HL, Shreve AP. A joint theoretical and experimental study of phenylene-acetylene molecular wires Chemical Physics Letters. 401: 149-156. DOI: 10.1016/j.cplett.2004.10.155  1
2005 Wang HL, Tang Z, Gao Y, Magyar RJ, Tretiak S, Shreve AP. Control synthesis of functional nanoassemblies using Langmuir-Blodgett method 2005 Nsti Nanotechnology Conference and Trade Show - Nsti Nanotech 2005 Technical Proceedings. 754-757.  1
2004 Franco I, Tretiak S. Electron-vibrational dynamics of photoexcited polyfluorenes. Journal of the American Chemical Society. 126: 12130-40. PMID 15382949 DOI: 10.1021/ja0489285  1
2004 Bartholomew GP, Rumi M, Pond SJ, Perry JW, Tretiak S, Bazan GC. Two-photon absorption in three-dimensional chromophores based on [2.2]-paracyclophane. Journal of the American Chemical Society. 126: 11529-42. PMID 15366899 DOI: 10.1021/ja038743i  1
2004 Tretiak S, Piryatinski A, Saxena A, Martin RL, Bishop AR. On the existence of photoexcited breathers in conducting polymers Physical Review B - Condensed Matter and Materials Physics. 70: 1-4. DOI: 10.1103/PhysRevB.70.233203  1
2004 Piryatinski A, Tretiak S, Fenimore PW, Saxena A, Martin RL, Bishop AR. Three-pulse photon-echo spectroscopy as a probe of the photoexcited electronic state manifold in coupled electron-phonon systems [24] Physical Review B - Condensed Matter and Materials Physics. 70: 1-4. DOI: 10.1103/PhysRevB.70.161404  1
2004 Ivanov SA, Nanda J, Piryatinski A, Achermann M, Balet LP, Bezel IV, Anikeeva PO, Tretiak S, Klimov VI. Light amplification using inverted core/shell nanocrystals: Towards lasing in the single-exciton regime Journal of Physical Chemistry B. 108: 10625-10630. DOI: 10.1021/jp0483371  1
2004 Kobko N, Masunov A, Tretiak S. Calculations of the third-order nonlinear optical responses in push-pull chromophores with a time-dependent density functional theory Chemical Physics Letters. 392: 444-451. DOI: 10.1016/j.cplett.2004.05.078  1
2004 Masunov A, Tretiak S. Prediction of two-photon absorption properties for organic chromophores using time-dependent density-functional theory Journal of Physical Chemistry B. 108: 899-907.  1
2004 Thorsmølle VK, Averitt RD, Demsar J, Chi X, Tretiak S, Ramirez AP, Taylor AJ. Ultrafast dynamics in pentacene and tetracene probed using optical pump-probe spectroscopy Osa Trends in Optics and Photonics Series. 97: 517-518.  1
2003 Tretiak S, Saxena A, Martin RL, Bishop AR. Photoexcited breathers in conjugated polyenes: an excited-state molecular dynamics study. Proceedings of the National Academy of Sciences of the United States of America. 100: 2185-90. PMID 12594339 DOI: 10.1073/pnas.0530132100  1
2003 Tretiak S, Chernyak V. Resonant nonlinear polarizabilities in the time-dependent density functional theory Journal of Chemical Physics. 119: 8809-8823. DOI: 10.1063/1.1614240  1
2003 Franco I, Tretiak S. Electron-vibrational relaxation of photoexcited polyfluorenes in the presence of chemical defects: A theoretical study Chemical Physics Letters. 372: 403-408. DOI: 10.1016/S0009-2614(03)00419-6  1
2003 Moran AM, Myers Kelley A, Tretiak S. Excited state molecular dynamics simulations of nonlinear push-pull chromophores Chemical Physics Letters. 367: 293-307. DOI: 10.1016/S0009-2614(02)01583-X  1
2002 Tretiak S, Mukamel S. Density matrix analysis and simulation of electronic excitations in conjugated and aggregated molecules. Chemical Reviews. 102: 3171-212. PMID 12222985 DOI: 10.1021/cr0101252  1
2002 Tretiak S, Saxena A, Martin RL, Bishop AR. Conformational dynamics of photoexcited conjugated molecules. Physical Review Letters. 89: 097402. PMID 12190437 DOI: 10.1103/PhysRevLett.89.097402  1
2002 Tretiak S, Saxena A, Martin RL, Bishop AR. Geometry relaxation of photoexcited states in conjugated molecules Phase Transitions. 75: 925-932. DOI: 10.1080/01411590290033831  1
2002 Nguyen KA, Day PN, Pachter R, Tretiak S, Chernyak V, Mukamel S. Analysis of absorption spectra of zinc porphyrin, zinc meso-tetraphenylporphyrin, and halogenated derivatives Journal of Physical Chemistry A. 106: 10285-10293. DOI: 10.1021/jp020053y  1
2002 Crooker SA, Hollingsworth JA, Tretiak S, Klimov VI. Spectrally resolved dynamics of energy transfer in quantum-dot assemblies: Towards engineered energy flows in artificial materials Physical Review Letters. 89: 186802/1-186802/4.  1
2002 Campbell IH, Smith DL, Tretiak S, Martin RL, Neef CJ, Ferraris JP. Excitation transfer processes in a phosphor-doped poly(p-phenylene vinylene) light-emitting diode Physical Review B - Condensed Matter and Materials Physics. 65: 852101-852108.  1
2001 Tretiak S, Saxena A, Martin RL, Bishop AR. Collective electronic oscillator/semiempirical calculations of static nonlinear polarizabilities in conjugated molecules Journal of Chemical Physics. 115: 699-707. DOI: 10.1063/1.1377035  1
2001 Ern J, Bens AT, Martin HD, Mukamel S, Tretiak S, Tsyganenko K, Kuldova K, Trommsdorff HP, Kryschi C. Reaction dynamics of a photochromic fluorescing dithienylethene Journal of Physical Chemistry A. 105: 1741-1749.  1
2000 Piryatinski A, Tretiak S, Chernyak V, Mukamel S. Simulations of two-dimensional femtosecond infrared photon echoes of glycine dipeptide Journal of Raman Spectroscopy. 31: 125-135.  1
2000 Tretiak S, Saxena A, Martin RL, Bishop AR. CEO/semiempirical calculations of UV-visible spectra in conjugated molecules Chemical Physics Letters. 331: 561-568.  1
2000 Tretiak S, Chernyak V, Mukamel S. Origin, scaling, and saturation of nonlinear polarizabilities in donor/acceptor polymers Conference On Quantum Electronics and Laser Science (Qels) - Technical Digest Series. 170-171.  1
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