1. Özen, C. and Tüzün, N. S. (2008). A DFT study on the mechanism of cyclopropanation via Cu(acac)(2)-catalyzed diazo ester decomposition. Organometallics, 27(18), 4600-4610.
  2. Tüzün, S., Bayata, F. and Sarac, A. S. (2008). An experimental and quantum mechanical study on electrochemical properties of N-substituted pyrroles. Journal of Molecular Structure: Theochem, 857 (1-3) , 95-104.
  3. Sevinçli, H., Topsakal, M., Durgun, E., and Ciraci, S., (2008). Electronic and magnetic properties of 3d transition-metal atom adsorbed graphene and graphene nanoribbons , Physical Review B , 77 (19) ,195434.
  4. Topsakal, M., Aktürk, E., Sevinçli, H. and Ciraci, S. (2008). First-principles approach to monitoring the band gap and magnetic state of a graphene nanoribbon via its vacancies , Physical Review B , 78 (23), 235435.
  5. Topsakal, M., Sevinçli, H. and Ciraci, S. (2008). Spin confinement in the superlattices of graphene ribbons, Applied Physics Letters, 92 ,173118.
  6. Ataca, C., Cahangirov, S., Durgun, E., Jang, Y.-R. and Ciraci, S. (2008). Structural, electronic, and magnetic properties of 3d transition metal monatomic chains: First-principles calculations , Physical Review B, 77, 214413.
  7. Sevinçli, H., Topsakal, M. and Ciraci, S. (2008). Superlattice structures of graphene-based armchair nanoribbons, Physical Review B, 78, 245402.
  8. Çakır, D., Gülseren,  O., Mete,  E. and  Ellialtıoğlu, Ş. (2009). Dye adsorbates BrPDI, BrGly, and BrAsp on anatase TiO2(001) for dye-sensitized solar cell applications. Physical Review B, 80, 35431.
  9. Onat, B., Konuk, M., Durukanoğlu, S. and Dereli, G. (2009). Energetics and atomic relaxations of Cu nanowires: the effect of local strain and cross-sectional area, Nanotechnology, 20 (7), 75707.
  10. Özen, C., S. Konuklar, F. A. and Tüzün, N. S. (2009) Mechanistic Study on [3+2] Cycloaddition and Cyclopropanation Reactions of 1,3-Dioxepine Derivatives in the Presence of Copper(I) Catalyst , Organometallics, 28 (17), 4964-4973.
  11. Topsakal, M., Cahangirov, S., Bekaroglu, E. and Ciraci, S. (2009). First-principles study of zinc oxide honeycomb structures. Physical Review B, 80 (23), 23519.
  12. Sahin, H., Ataca, C. and Ciraci, S. (2009). Magnetization of graphane by dehydrogenation. Applied Physics Letters, 95 (22).
  13. Cahangirov, S. and Ciraci, S. (2009). Confinement of electrons in size-modulated silicon nanowires. Physical Review B, 80 (7-8), 075305.
  14. Cahangirov, S., Topsakal, M. and Akturk, E. (2009). Two- and One-Dimensional Honeycomb Structures of Silicon and Germanium. Physical Review Letters , 102 (23), 236804. ttp://
  15. Cahangirov, S. and Ciraci, S. (2009). First-principles study of GaAs nanowires. Physical Review B, 79 (16), 165118.
  16. Topsakal, M., Akturk, E. and Ciraci, S. (2009). First-principles study of two- and one-dimensional honeycomb structures of boron nitride. Physical Review B, 79 (11), 115442.
  17. Akturk, E. and Ciraci, S. (2009). A First-principles study of iron-pnictide BaFe2As2. Physical Review B, 79, 184523.
  18. Ataca, C., Akturk, E. and  Ciraci, S. (2009). Hydrogen storage of calcium atoms adsorbed on grapheme: First-principles plane wave calculations. Physical Review B: Rapid Communications, 79, 041406(R).
  19. Cakir, D. and Gulseren, O. (2009). First-principles study of thin TiOx and bulklike rutile nanowires, Physical Review B, 80 (12).
  20. Erkol, G., Oka, M. and Takahashi, T. T. (2010). Axial Charges of Octet Baryons in Two-flavor Lattice QCD, Physics Letters B , 686 (1) , 36-40.
  21. Dönmez, O. (2010). Sgr A* Karadeliğinin Etrafındaki Yığılma Diskinin Dinamik Yapısının Modellenmesi , Journal of Natural and Applied Science , 14 (1) , 4-9.
  22. Şengün, Y. and Durukanoğ̆lu, S. (2010). Vibrational properties of Cu nanowires. Physica A: Statistical Mechanics and its Applications, 389 (15), 2945-2950.
  23. Cahangirov, S., Topsakal, M. and Ciraci, S. (2010). Long-range interactions in carbon atomic chains, Physical Review B , 83 (19), 195444.
  24. Yildiran, D. and Donmez, O. (2010). Numerical Treatment of Thin Accretion Disk Dynamics Around Rotating Black Holes. International Journal of Modern Physics D, 19 (13), 2111-2133.
  25. Sahin, H., Senger, R. T. and Ciraci, S. (2010). Spintronic properties of zigzag-edged triangular graphene flakes. Journal of Applied Physics, 108 (7-8), 074301.
  26. Dedeoglu, B., Catak, S., Houk, K. N. and Aviyente, V.  (2010). A Theoretical Study of the Mechanism of the Desymmetrization of Cyclic meso-Anhydrides by Chiral Amino Alcohols. CHEMCATCHEM, 2 (9), 1122-1129.
  27. Akturk, E., Ataca, C. and Ciraci, S. (2010). Effects of silicon and germanium adsorbed on graphene. Applied Physics Letters, 96 (12), 123112.
  28. Gul, S., Schoenebeck, F. and Aviyente, V. (2010) Computational Study of Factors Controlling the Boat and Chair Transition States of Ireland-Claisen Rearrangements , Journal of Organic Chemistry , 75 (6) , 2115-2118.
  29. Topsakal, M., Bagci, V. M. K. and Ciraci, S. (2010). Current-voltage (I-V) characteristics of armchair graphene nanoribbons under uniaxial strain, Physical Review B, 81 (20).
  30. Sahin, H., Ataca C. and Ciraci, S. (2010). Electronic and magnetic properties of graphene nanoribbons,Physical Review B, 81 (20).
  31. Degirmenci, I., Eren, S., Aviyente V., De Sterck, B., Hemelsoet, K., Van Speybroeck, V. and Waroquier, M. (2010). Modeling the solvent effect on the tacticity in the free radical polymerization of methyl methacrylate, Macromolecules, 43 (13), 5602-5610.
  32. Furuncuoglu, T., Ugur, I., Degirmenci, I. and Aviyente, V. (2010). Role of Chain Transfer Agents in Free Radical Polymerization Kinetics , Macromolecules , 43 (4) , 1823-1835.
  33. Bekaroglu, E., Topsakal, M. and Cahangirov, S. (2010). First-principles study of defects and adatoms in silicon carbide honeycomb structures. Physical Review B, 81(7-8), 075433.
  34. Topsakal, M. and Ciraci, S. (2010). Elastic and plastic deformation of graphene, silicene, and boron nitride honeycomb nanoribbons under uniaxial tension: A first-principles density-functional theory study. Physical Review B, 81, 024107.
  35. Yılmaz, İ., Davidson, L., Edis, F. O. and Saygın, H. (2011). Numerical simulation of Kelvin-Helmholtz instability using an implicit, non-dissipative DNS algorithm. Journal of Physics Conference Series, 318 (3),  32024.
  36. Ozen, A. S. (2011). Peripheral and Structural Effects on the Band Gap of Acceptor-Donor Type Conducting Polymers Containing Pendant Bisfulleroid Groups , Journal of Physical Chemistry C, 115 (50), 25007-25018.
  37. Ozaltin, T. F. Degirmenci, I. and Aviyente, V. (2011). Controlling the tacticity in the polymerization of N-isopropylacrylamide: A computational study.  Polymer, 52 (24), 5503-5512.
  38. Cakir, D. and Gulseren, O. (2011) Effect of impurities on the mechanical and electronic properties of Au, Ag, and Cu monatomic chain nanowires. Physical Review B, 84 (8), 085450.
  39. Ozen, C., Yurtsever, M. and Ozturk, T. (2011).  A theoretical approach to the formation mechanism of diphenyldithieno[3,2-b:2′,3 ‘-d]thiophene from 1,8-diketone, 4,5-bis(benzoylmethylthio)thiophene: a DFT study. TETRAHEDRON , 67 (34) , 6275-6280.
  40. Sahin, M. (2011). A stable unstructured finite volume method for parallel large-scale viscoelastic fluid flow calculations. Journal of Non-Newtonian Fluid Mechanics, 116 (14-15), 779-791.
  41. Cirak, C., Demir, S. and Ucun, F. (2011). Experimental and theoretical study on the structure and vibrational spectra of beta-2-aminopyridinium dihydrogenphosphate. Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 79(3), 529-532 .
  42. Karahan, O., Avci, D. and Aviyente, V. (2011). Structure-Reactivity Relationships of Alkyl alpha-Hydroxymethacrylate Derivatives, Journal of Polymer Science Part A-Polymer Chemistry, 49 (14), 3058-3068.
  43. Topcuoglu, H. R., Ermis, M. and Sifyan, M. (2011). Positioning and Utilizing Sensors on a 3-D Terrain Part II-Solving With a Hybrid Evolutionary Algorithm. IEEE Transactions On Systems Man and Cybernetics Part C-Applications and Reviews, 41 (4), 470-480.
  44. Ataca, C. and Ciraci, S. (2011). Perpendicular growth of carbon chains on graphene from first-principles, Physical Review B, 83 (23), 235417.
  45. Karahan, O., Isik, M. and Cifci, G. (2011). Cyclization Tendencies in the Free Radical Polymerization of Allyl Acrylate Derivatives: A Computational Study. Journal of Polymer Science Part A-Polymer Chemistry49  (11), 2474-2483.
  46. Cakir, D., Gulseren, O. and Mete, E. (2011). Interaction of BrPDI, BrGly, and BrAsp with the Rutile TiO2(110) Surface for Photovoltaic and Photocatalytic Applications: A First-Principles Study , Journal of Physical Chemistry C, 115 (18), 9220-9226.
  47. Topcuoglu, H. R., Ermis, M. and Sifyan, M. (2011). Positioning and Utilizing Sensors on a 3-D Terrain Part I-Theory and Modeling, IEEE Transactions On Systems Man and Cybernetics Part C-Applications and Reviews, 41 (3), 376-382 .
  48. Cahangirov, S. and Ciraci, S. (2011). Two-dimensional C/BN core/shell structures, Physical Review B, 83 (16), 165448.
  49. Donmez, O., Zanotti, O. and Rezzolla, L. (2011). On the development of quasi-periodic oscillations in Bondi-Hoyle accretion flows. Monthly Notices of the Royal Astronomical Society, 412 (3), 1659-1668.
  50. Sahin, H., Topsakal, M. and Ciraci, S. (2011). Structures of fluorinated graphene and their signatures. Physical Review B, 83 (11), 115432.
  51. Agopcan, S., Celebi-Olcum, N., Ucisik, N. M., Sanyal, A. and Aviyente, V. (2011). Origins of the diastereoselectivity in hydrogen bonding directed Diels-Alder reactions of chiral dienes with achiral dienophiles: a computational study. Organic & Biomolecular Chemistry, 9 (23), 8079-8088.
  52. Bozkurt, D. and Sen, O.L. (2011) Precipitation in the Anatolian Peninsula: Sensitivity to increased SSTs in the surrounding seas. Climate Dynamics, 36 (3-4), 711-726.
  53. Durak, A. T., Gökcan H. and  Konuklar, F. A. S. (2011). Theoretical studies on the inactivation mechanism of γ-aminobutyric acid aminotransferase. Organic & Biomolecular Chemistry, 9, 5162-5171.
  54. Şengün, Y. and Durukanoğlu, S. (2011). Vibrational behavior of metal nanowires under tensile stress. Physics Letters B, 83, 113409.
  55. Ataca, C., Sahin, H., Akturk, E. and Ciraci, S. (2011). Mechanical and Electronic Properties of MoS2 Nanoribbons and Their Defects, Journal of Physical Chemistry C, 115 (10), 3934-3941.
  56. Sozuer, H. S. and Sengun H. D. (2011). Photonic Crystal Assisted 90 degrees Waveguide Bend, International Journal of Modern Physics B, 25 (16), 2167-2182.
  57. Ataca, C. and Ciraci, S. (2011).Functionalization of Single-Layer MoS2 Honeycomb Structures, Journal of Physical Chemistry C, 115 (27), 13303-13311.
  58. Yildirim, A., Konuklar, F. A. S., Catak, S., Speybroeck, V. V., Waroquier, M., Doğan, İ. and Aviyente V. (2012). Solvent-Catalyzed Ring-Chain-Ring Tautomerization in Axially Chiral Compounds. Chemistry A European Journal, 18 (40), 12725-12732.
  59. Hummatov, R., Gulseren, O., Ozensoy, E., Toffoli, D. and Üstünel, H. (2012). First-Principles Investigation of NOx and SOx Adsorption on Anatase-Supported BaO and Pt Overlayers. Journal of Physical Chemistry C, 116 (10), 6191-6199.
  60. Cakir, D. and Gulseren, O. (2012). Adsorption of Pt and Bimetallic PtAu Clusters on the Partially Reduced Rutile (110) TiO2 Surface: A First-Principles Study. Journal of Physical Chemistry C, 116 (9), 5735-5746.
  61. Sutay, B., Tekin, A. and Yurtsever, M. (2012). Intermolecular interactions in nitrogen-containing aromatic systems. Theoretical Chemistry Accounts, 131 (2), 1120.​1007/​s00214-012-1120-3
  62. Sucsoran, O., Bekiroglu, S., Ozturk, T. and Ertaş, E. (2012). Synthesis and electronic properties of 4-cyanophenylvinylenedithiathiophene: An EDOT derivative. Synthetic Metals, 162 (1-2), 49-53.
  63. Ince, H. H., Dedeoglu, B. and Gul, S. (2012). Selectivity in the aggregates of the chiral organolithium N-Boc-2-lithiopiperidine with a chiral ligand: a DFT study. Molecular Physics, 110  (6), 353-359.
  64. Ozcelik, V. O. and Ciraci, S. (2012). Self-assembly mechanisms of short atomic chains on single-layer graphene and boron nitride. Physical Review B, 86 (15), 155421.
  65. Toffoli, D. and  Decleva, P. (2012). Density functional theory for molecular multiphoton ionization in the perturbative regime. Journal of Chemical Physics, 137 (13), 134103.
  66. Donmez, O. (2012). Relativistic simulation of flip-flop instabilities of Bondi-Hoyle accretion and quasi-periodic oscillations. Monthly Notices of the Royal Astronomical Society, 426 (2), 1533-1545.
  67. Caputo, R. and Tekin, A. (2012). Lithium Dihydroborate: First-Principles Structure Prediction of LiBH2. Inorganic Chemistry, 51 (18), 9757-9765.
  68. Cirak, C. and Koc, N. (2012). Molecular structure and effects of intermolecular hydrogen bonding on the vibrational spectrum of trifluorothymine, an antitumor and antiviral agent. Journal of Molecular Modeling, 18 (9), 4453-4464.​1007/​s00894-012-1449-5
  69. Panos, M., Sen, T. Z. and Ahunbay, M. G. (2012). Molecular Simulation of Fibronectin Adsorption onto Polyurethane Surfaces. Langmuir, 28 (34), 12619-12628.
  70. Cakir, D. and Gulseren, O. (2012). Ab initio study of neutral (TiO2)(n) clusters and their interactions with water and transition metal atoms. Journal of Physics: Condensed Matter, 24 (30), 305301.
  71. Velioğlu, S., Ahunbay, G. and Tantekin-Ersolmaz, S. B. (2012). Investigation of Sorption Induced Plasticization in Fluorinated Polyimide Membranes via Molecular Simulation. Journal of Membrane Science, 417-418, 217-227.
  72. Dogan, B., Catak, S., Speybroeck, V. V., Waroquier, M. and Aviyente V.  (2012). Free radical polymerization of ethyl methacrylate and ethyl alpha-hydroxy methacrylate: A computational approach to the propagation kinetics.  Polymer, 53 (15), 3211-3219.
  73. Ozcelik, V. O., Cahangirov, S. and Ciraci, S. (2012). Epitaxial growth mechanisms of graphene and effects of substrates. Physical Review B, 85 (23), 235456.
  74. Cirak, C., Sert, Y. and Ucun, F. (2012). Experimental and computational study on molecular structure and vibrational analysis of a modified biomolecule: 5-Bromo-2 ‘-deoxyuridine. Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 92, 406-414.
  75. Ataca, C., Sahin, H. and Ciraci, S. (2012). Stable, Single-Layer MX2 Transition-Metal Oxides and Dichalcogenides in a Honeycomb-Like Structure. Journal of Physical Chemistry C, 116 (16), 8983-8999.
  76. Önol, B. (2012). Effects of coastal topography on climate: high-resolution simulation with a regional climate model. Climate Research, 52, 159-174.
  77. Yildirim, E., Yurtsever, M., Yurtsever, E., Yilgor, I.  and  Yilgor, E. (2012). Multiscale Modeling of the Morphology and Properties of Segmented Silicone-Urea Copolymers. Journal of Inorganic and Organometallic Polymers and Materials, 22, 604-616.
  78. Dönmez, O. (2012). Relativistic Simulation of Flip-Flop Instabilities of the Bondi- Hoyle Accretion and Quasi-Periodic Oscillations. MNRAS, 426, 1533-1545.
  79. Gökcan, H. and  Konuklar, F. A. S. (2012). Theoretical Study on HF Elimination and Aromatization Mechanisms: A Case of Pyridoxal 5′ Phosphate-Dependent Enzyme. The Journal of Organic Chemistry, 77(13) , 5533-5543.
  80. Osken, I., Sahin, O., Gundogan, A. S., Bildirir, H., Capan, A., Ertas, E., Eroglu, M. S., Wallis, J. D., Topal, K. and Ozturk, T. (2012). Selective syntheses of vinylenedithiathiophenes (VDTTs) and dithieno [2,3-b;2 ‘,3 ‘-d]thiophenes (DTTs); building blocks for pi-conjugated systems,Tetrahedron, 68 (4), 1216-1222.
  81. Krenske, E. H., Agopcan, S., Ayiyente, V., Houk, K. N., Johnson, B. A. and Holmes, A. B. (2012). Causation in a Cascade: The Origins of Selectivities in Intramolecular Nitrone Cycloadditions, Journal of the  American Chemical Society, 134 (29), 12010-12015.
  82. Saleem, H., Erdogdu, Y., Subashchandrabose, S., Thanikachalam, V., Jayabharathi, J. and Babu, N. R., Structural and vibrational studies on (E)-2-(2-hydroxy benzyliden amino)-3-phenyl propionic acid using experimental and DFT methods, Journal of Molecular Structure, 1030, 157-167.
  83. Erdogan, Y. S. and Gundes,  P. B. (2013). Evaluation of the different genetic algorithm parameters and operators for the Finite Element Model Updating Problem. Computers and Concrete, 11(6), 541-569.
  84. Erzincanli, B. and Sahin, M. (2013). An arbitrary Lagrangian-Eulerian formulation for solving moving boundary problems with large displacements and rotations. Journal of Computational Physics255, 660-679.
  85. Ozcelik, V. O. and Ciraci, S. (2013). Local Reconstructions of Silicene Induced by Adatoms. Journal of Physical Chemistry C, 117 (49), 26305-26315.
  86. Ozen, C., Yildirim, A., Tuzun, N. S., Haslak, P., Doğan, E., Acar, E. and Aviyente, V. (2013). Prediction of the H-1 NMR spectra of epoxy-fused cyclopentane derivatives by calculations of chemical shifts and spin-spin coupling constants. Molecular  Physics, 111 (20), 3147-3155.
  87. Gurel, H. H. and Ciraci, S. (2013). Enhanced reduction of graphene oxide by means of charging and electric fields applied to hydroxyl groups. Journal of Physics-Condensed Matter, 25 (43), 5304.
  88. Yildirim, E., Erciyes, G. and Yurtsever, M. (2013). Theoretical approach to the structural, electronic, and morphological properties of poly(E>-caprolactone) grafted polypyrroles. Macromolecular Research, 21 (9), 949-957.
  89. Gurel, H. H., Ozcelik, V. O. and Ciraci, S. (2013). Effects of charging and perpendicular electric field on the properties of silicene and germanene. Journal of Physics-Condensed Matter, 25 (30), 5007.
  90. Ozcelik, V. O., Gurel, H. H. and Ciraci, S. (2013). Self-healing of vacancy defects in single-layer graphene and silicene. Physical Review B, 88 (4), 5440.
  91. Toffoli, D. and Decleva, P. (2013). Multiphoton core ionization dynamics of polyatomic molecules. Journal of Physics B: Atomic, Molecular and Optical Physics,  46 (14), 5101.
  92. Ozcelik, V. O. and Ciraci, S. (2013). Nanoscale Dielectric Capacitors Composed of Graphene and Boron Nitride Layers: A First-Principles Study of High Capacitance at Nanoscale. Journal of Physical Chemistry C, 117 (29), 15327-15334.
  93. Gurel, H. H. and Ciraci, S. (2013). Effects of charging and electric field on graphene functionalized with titanium , Journal of Physics-Condensed Matter, 25 (27), 5302.
  94. Piskin, S. and Celebi, M. S. (2013). Analysis of the effects of different pulsatile inlet profiles on the hemodynamical properties of blood flow in patient specific carotid artery with stenosis. Computers in Biology and Medicine, 43 (6), 717-728.
  95. Isik, M., Karahan, O., Avci, D.  and Aviyente, V. (2013). A computational approach to the free radical polymerization kinetics of alkyl alpha-hydroxymethacrylate monomers: A structure-reactivity relationship. Journal of Polymer Science Part A-Polymer Chemistry, 51 (11), 2375-2384.
  96. Sahin, M. (2013). Parallel large-scale numerical simulations of purely-elastic instabilities behind a confined circular cylinder in a rectangular channel. Journal of Non-Newtonian Fluid Mechanics, 195, 46-56.
  97. Degirmenci, I., Ozaltin, T. F.,  Karahan, O., Speybroeck, V. V., Waroquier, M. and Aviyente V. (2013). Origins of the solvent effect on the propagation kinetics of acrylic acid and methacrylic acid. Journal of Polymer Science Part A-Polymer Chemistry, 51 (9), 2024-2034.
  98. Topsakal, M., Gurel, H. H. and Ciraci, S. (2013). Effects of Charging and Electric Field on Graphene Oxide. Journal of Physical Chemistry-C, 117 (11), 5943-5952.
  99. Uddin, M.N.,  Shibly, S. U. A., Ovali, R., Islam, S., Mazumder, M. R., Islam, M. S., Uddin, M. J., Gülseren, O. and Bengu E. (2013). An experimental and first-principles study of the effect of B/N doping in TiO2 thin films for visible light photo-catalysis. Journal of Photochemistry and  Photobiology A-Chemistry, 254, 25-34.
  100. Karahan, O., Aviyente, V., Avci, D., Zijlstra, H. and Bickelhaupt, F. M. (2013). A Computational Study on the Reactivity Enhancement in the Free Radical Polymerization of Alkyl alpha-Hydroxymethacrylate and Acrylate Derivatives. Journal of Polymer Science Part A-Polymer Chemistry, 51 (4), 880-889.
  101. Ozcelik, V. O. and Ciraci, S. (2013). Size Dependence in the Stabilities and Electronic Properties of alpha-Graphyne and Its Boron Nitride Analogue. Journal of Physical Chemistry-C, 117 (5), 2175-2182.
  102. Yildirim, E. and Yurtsever, M. (2013). Morphological Properties of Pyrrole and Phenylene Rod-Coil Diblock Copolymers by Dissipative Particle Dynamics. Journal of Theoretical and Computational Chemistry, 12 (1), 1250100.
  103. Karatas, D., Tekin, A. and Celik, M. S. (2013). Adsorption of quaternary amine surfactants and their penetration into the intracrystalline cavities of sepiolite. New Journal of Chemistry, 37 (12), 3936-3948.
  104. Gurkan, Y. Y., Kasapbasi, E. and Cinar, Z. (2013). Enhanced solar photocatalytic activity of TiO2 by selenium(IV) ion-doping: Characterization and DFT modeling of the surface. Chemical Engineering Journal, 214, 34-44.
  105. Erdogan, Y. S., Bakir, P.G. (2013). Inverse propagation of uncertainties in finite element model updating through use of fuzzy arithmetic. Engineering Applications of Artificial Intelligence, 26 (1), 357-367.
  106. Erdoğdu, Y. and  Erkoç, Ş. (2013). Evolution of the electronic structure and properties of charged titanium doped aluminum nanoclusters, Computational Materials Science, 79, 599-610.
  107. Erdoğdu, Y.  (2013). Investigations of FT-IR, FT-Raman, FT-NMR spectra and quantum chemical computations of Esculetin molecule. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 106, 25-33.
  108. Salmas, R.E., Demir, B., Yıldırım,E., Sirkecioğlu, A., Yurtsever, M. and Ahunbay G. (2013). Silver−Sodium Ion Exchange Dynamics in LTA Zeolite Membranes. The Journal of Physical Chemistry C, 117 (4), 1663-1671.
  109. Can, K.U., Erkol,  G., Oka,  M., Ozpineci, A. and Takahashi, T.T. (2013). Vector and axial-vector couplings of D and D∗ mesons in 2 + 1 flavor lattice QCD. Physics Letters B, 719 (1-3), 103-109.
  110. Cankaya, S.T.,  Çapan, A.,  Çınar, M.E.,  Akın, Topal, E. S. and Öztürk, T. (2013). Syntheses and properties of 3,4-diaryldithieno [2,3-b;3′,2′- d]thiophenes. Journal of Sulfur Chemistry, 34 (6), 638-645.
  111. Caputo, R., Kupczak, A., Sikora, W. and  Tekin, A. (2013). Ab initio crystal structure prediction by combining symmetry analysis representations and total energy calculations. An insight into the structure of Mg(BH4)2. Phys. Chem. Chem. Phys., 15, 1471-1480.
  112. Iskin, M. and Subasi, A. L. (2013). Topological superfluid phases of an atomic Fermi gas with in- and out-of-plane Zeeman fields and equal Rashba-Dresselhaus spin-orbit coupling, Physical Review A, 87 (6).
  113. Dedeoglu, B., Ugur, I., Degirmenci, I., Aviyente, V., Barcin, B., Cayli, G. and Acar, H.Y. (2013). First RAFT polymerization of captodative 2-acetamidoacrylic acid (AAA) monomer: An experimental and theoretical study, Polymer, 54 (19), 5122-5132
  114. Kislak, Y. and Tekin, A. (2014). First-Principles Structure Prediction of Dual Cation Ammine Borohydrides: LiMg(BH4)3(NH3)x. International Congress on Energy Efficiency and Energy Related Materials (ENEFM2013), Proceedings in Physics, 155, 457-462.
  115. Gunduz, E. Ozsoy. (2014). Modelling Seasonal Circulation and Thermohaline Structure of Caspian Sea. Ocean Modelling, 10, 459–471.
  116. Gokcan, H., Konuklar, F. A. S. (2014). Stereoelectronic explanations for the mechanistic details of transimination and HF elimination reactions. Journal of Molecular Graphics & Modelling, 51, 173-183.
  117. Kayik, G. and Tuzun, N. S. (2014). Stereoselective propagation in free radical polymerization of acrylamides: A DFT study. Journal of Molecular Graphics & Modelling49, 55-67.
  118. Ozcesmeci, I., Tekin, A. and Gul, A. (2014). Synthesis and aggregation behavior of zinc phthalocyanines substituted with bulky naphthoxy and phenylazonaphthoxy groups: An experimental and theoretical study. Synthetic Metals, 189, 100-110.
  119. Artuc, Z., Ustunel, H. and Toffoli, D. (2014). First principles investigation of NO2 and SO2 adsorption on gamma-Al2O3 supported mono- and diatomic metal clusters.  Rsc Advances, 4 (89), 48492-48506.
  120. Cinar, S. A., Ercan, S., Gunal, S. E., Doğan, I. and Aviyente, V. (2014). The origin of exo-stereoselectivity of norbornene in hetero Diels-Alder reactions. Organic & Biomolecular Chemistry, 12 (40), 8079-8086.
  121. Ozaltin, T. F., Dereli, B., Karahan, O., Salman, S. and Aviyente, V. (2014). Solvent effects on free-radical copolymerization of styrene and 2-hydroxyethyl methacrylate: a DFT study. New Journal of Chemistry, 38 (1), 170-178.
  122. Gurel, H. H., Ozcelik, V. O. and Ciraci, S. (2014). Dissociative Adsorption of Molecules on Graphene and Silicene. The Journal of Physical Chemistry C, 118 (47), 27574-27582.
  123. Atac, A., Karaca, C., Gunnaz, S. and  Karabacak, M. (2014). Vibrational (FT-IR and FT-Raman), electronic (UV-Vis), NMR (H-1 and C-13) spectra and reactivity analyses of 4,5-dimethyl-o-phenylenediamine. Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 130, 516-525.
  124. Varol, O., Yuret, D., Erman, B. and Kabakçıoğlu, A. (2014). Mode coupling points to functionally important residues in myosin II. Proteins-Structure Function and Bioinformatics, 82 (9), 1777-1786.
  125. Yilmaz, I. Edis, F. O. and Saygin, H. (2014). Application of an all-speed implicit non-dissipative DNS algorithm to hydrodynamic instabilities. Computers & Fluids, 100, 237-254.
  126. Ozcelik, V. O., Cahangirov, S., Ciraci, S. (2014). Stable Single-Layer Honeycomblike Structure of Silica. Physical Review Letters, 112 (24), 246803.
  127. Yildirim, E. and Yurtsever, M. (2014). The role of diisocyanate and soft segment on the intersegmental interactions in urethane and urea based segmented copolymers: A DFT study. Computational and Theoretical Chemistry, 1035, 28-38.
  128. Donmez, O. (2014). The dynamical evolution of the black hole-torus system perturbed by a Bondi-Hoyle accretion. International Journal of Modern Physics D, 23 (5), 1450050.
  129. Yilmaz, I., Edis, F. O., Saygin, H. and Davidson, L. (2014). Parallel implicit DNS of temporally-evolving turbulent shear layer instability. Journal of Computational and Applied Mathematics, 259, 651-659.
  130. Simens, M. P. and Gungor, A. G. (2014). The Effect of Surface Roughness on Laminar Separated Boundary Layers.  Journal of Turbomachinery-Transactions of the Asme, 136 (3), 031014.
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  132. Donmez, O. (2014). On the development of the Papaloizou-Pringle instability of the black hole-torus systems and quasi-periodic oscillations. Monthly Notices of the Royal Astronomical Society, 438 (1), 846-858.
  133. Tuncer, O. and Kaynaroglu, B. (2014). Experimental and numerical investigation of a swirl-stabilized premixed methane/air flame. Aircraft Engineering and Aerospace Technology, 86 (3), 215-224.
  134. Hoxha, A. and Ozdemir, I. B.(2014). Simulation of a MILD combustion burner using ILDM chemistry. Progress in Computational Fluid Dynamics, 14 (4), 233-243.
  135. Onat, B. and Durukanoğlu,  S. (2014). An optimized interatomic potential for Cu–Ni alloys with the embedded-atom method. Journal of Physics: Condense Matter, 26 (3), 5404.
  136. Duran,  A., Celebi, M.S.,  Akaydin, B., Tuncel, M. and Oztoprak, F.(2014). Analysis of SuperLU Solvers on the Intel MIC Architecture.
  137. Duran,  A., Celebi, M.S., Tuncel, M., Akaydin, B. and Oztoprak, F. (2014). Structural Analysis of Large Sparse Matrices for Scalable Direct Solvers.
  138. Celebi, M.S., Duran,  A., Tuncel, M., Akaydin, B. and Oztoprak, F. (2014). Performance Analysis of BLAS Libraries in SuperLU_DIST for SuperLU_MCDT (Multi Core Distributed) Development.
  139. Can, K.U., Erkol, G., Isildak,  B., Oka, M. and Takahashi, T.T. (2014). Electromagnetic structure of charmed baryons in Lattice QCD. Journal of High Energy Physics, 125.
  140. Sütay, B., Yurtsever, M. and Yurtsever, E. (2014). A post-HF study on the interaction of iodine with small polyaromatic hydrocarbons. Journal of Molecular Modelling, 20,  894.
  141. Koyuncu, F. and  Dönmez, O. (2014). Numerical Simulation of the Disk Dynamics around the Black Hole: Bondi-Hoyle Accretion. Modern Physics Letters A, 29 (21), 1450115.
  142. Salim, S., Yıldırım, E., Yurtsever, M., Yurtsever, E.  Yilgor, I., Yilgor, E. and Wilkes, G. L. (2014). Understanding the influence of hydrogen bonding and diisocyanate symmetry on the morphology and properties of segmented polyurethanes and polyureas: Computational and experimental study. Polymer, 55 (18), 4563–4576.
  143. Karaca, C., Atac, A. and Karabacak, M. (2014). Quantum chemical calculation (electronic and topologic) and experimental (FT-IR, FT-Raman and UV) analysis of isonicotinic acid N-oxide.  Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 140, 85-95.
  144. Erdogdu, Y., Guzel, M., Gulluoglu, M. T., Amalanathan, M., Saglam, S. and Joe, I. H. (2014). Molecular structure, vibrational spectral investigation and the confirmation analysis of 4-Methylesculetin molecule, Optics and Spectroscopy, 116(3), 348-359.
  145. Leonis, G., Avramopoulos, A., Salmas, R.E., Durdagi, S., Yurtsever, M. and Papadopoulos, M. G. (2014). Elucidation of Conformational States, Dynamics, and Mechanism of Binding in Human kappa-Opioid Receptor Complexes, Journal of Chemical Information and Modeling, 54 (8), 2294-2308.
  146. Kayik, G. and Tüzün, N. S. (2015). A Quantum Mechanical Study on the Propagation Kinetics of N-methylacrylamide: Comparison With N,N-Dimethylacrylamide in Free Radical Polymerization. Macromolecular  Theory and Simulations, 24 (3), 218-231.
  147. Turuncoglu, U. U. (2015). Identifying the sensitivity of precipitation of Anatolian peninsula to Mediterranean and Black Sea surface temperature. Climate Dynamics, 44 (7-8), 1993-2015.
  148. Kobak, R. Z. U., Arı, M. U., Tekin, A. and Gül, A. (2015). Aggregation behavior in unsymmetrically substituted metal-free phthalocyanines. Chemical Physics, 448, 91-97.
  149. Cinar, S. A., De Proft, F., Avcı, D., Aviyente, V. and De Vleeschouwer, F. (2015). Relationship Between the Free Radical Polymerization Rates of Methacrylates and the Chemical Properties of their Monomeric Radicals. Macromolecular Chemistry and Physics, 216 (3), 334-343
  150. Manukyan, A. and Tekin, A. (2015). First principles potential for the cytosine dimer. Physical Chemistry Chemical Physics, 17 (22), 14685-14701.
  151. Yilmaz, I., Edis, F. O. and Saygin, H. (2015). Application of an All-Speed Implicit Finite-Volume Algorithm to Rayleigh-Taylor Instability. International Journal of Computational Methods, 12 (3), 1550018.
  152. Donmez, O. (2015). Spherical-shell accretion onto the black hole-torus system. Modern Physics Letter A, 30 (14), 1550071.
  153. Karakurt, T., Dinçer, M. and Çetin, F. (2015). Molecular structure and vibrational and chemical shift assignments of (4R)-5-eno-4,7-epidioxy-3,7-O-methyl-1,2-O-(S)-trichloroethylidene-5,6,8-trideoxy-α-D-threo-1,4-furano-4,7-diulo-octose by DFT and ab initio HF calculations, J Struct Chem, 56,  887-889.
  154. Yavuz, I., Tikman, and Altun, Z. (2015). High-order-harmonic generation from H2+ molecular ions near plasmon-enhanced laser fields. Physical Review A, 92, 023413.
  155. Maciel, Y., Simens, M.P. and Gungor, A.G. (2016). Coherent Structures in a Non-equilibrium Large-Velocity-Defect Turbulent Boundary Layer, Flow Turbulence Combust, 1-20.
  156. Eken, A. and Sahin, M. (2015). A parallel monolithic algorithm for the numerical simulation of large-scale fluid structure interaction problems, International Journal for Numerical Methods in Fluids, 80 (12), 687-714.
  157. Capan, A., Bostan, M. S., Mozioglu, E., Akoz, M., Goren, A. C., Eroglu, M. S. and Ozturk, T. (2015). Sequence specific recognition of ssDNA by fluorophore 3-hydroxyflavone, Journal of Photochemistry and Photobiology B-Biology 153, 391-396.
  158. Yucel, S. B., Sahin, M. and Unal, M. F. (2015). Strong transient effects of the flow around a harmonically plunging NACA0012 airfoil at low Reynolds numbers, Theoretical and Computational Fluid Dynamics, 29(5-6), 391-412.
  159. Erzincanli, B. and Sahin, M. (2015).The numerical simulation of the wing kinematics effects on near wake topology and aerodynamic performance in hovering Drosophila flight, Computers & Fluids, 122,  90-110.
  160. Tek, M., Ustunel, H. and Toffoli, D. (2015). Active role of the support in NOx storage and reductioncatalytic systems, Applied Surface Science, 355, 1295-1305.
  161. Duran, A., Celebi, M. S., Piskin, S. and Tuncel, M. (2015). Scalability of OpenFOAM for bio-medical flow simulations, Journal of Supercomputing, 71(3), 938-951.
  162. Boz, E. and Tüzün, N. S. (2016). Ag-catalyzed azide alkyne cycloaddition: a DFT approach, Dalton Trans., 45, 5752-5764.
  163. Güveli, S., Cinar, S. A., Karahan, O., Aviyente, V. And Ulküseven, B. (2016). Nickel(II)-PPh3 Complexes of S,N-Substituted Thiosemicarbazones – Structure, DFT Study, and Catalytic Efficiency, European Journal of Inorganic Chemistry, 2016(4), 538-544.
  164. Aksoy, H.G. (2016). Wave Propagation in Heterogeneous Media with Local and Nonlocal Material Behavior. Journal of Elasticity, 122 (1), 1-25.
  165. Karaca,  S. and Gungor, A.G. (2016). DNS of unsteady effects on the control of laminar separated boundary layers. European Journal of Mechanics B/Fluids, 56, 71-81.
  166. Öner, E. and Şahin, M. (2016). A parallel adaptive viscoelastic flow solver with template based dynamic mesh refinement. Journal of Non-Newtonian Fluid Mechanics, 234, 36-50.
  167. G. Turkoglu, M. E. Cinar, A. Buyruk, E. Tekin, S. P. Mucur, K. Kaya and T. Ozturk. (2016). Novel Organoboron Compounds Derived from Thieno[3,2-b]-thiophene and Triphenylamine Units for OLED Devices. J. Mater. Chem. C4,  6045−6053.
  168. G. Turkoglu, M. E. Cinar and T. Ozturk. (2016). Synthesis of Thioethers Using NEt3 Activated P4S10. Synthesis,  48 (20), 3618-3624.
  169. B. Sevinis, C. Sahin, M. E. Cinar, M. S. Eroglu and T. Ozturk. (2016). Copolymers Possessing Dithienothiophene (DTT) and Boron for Optoelectronic Applications. Polym. Eng. Sci.,
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