1.     H. Yildirim, A. Kara, S. Durukanoglu, and T. S. Rahman, “Contribution of Vibrational Dynamics to the Energetics and prefactors of Adatom Diffusion on Vicinals of Cu(100) and Cu(110),” Surface Science 600, 484 (2006).

2.     K.-Y. Kwon, K. L. Wong, G. Pawin, L. Bartels, S. Stolbov, and T. S. Rahman, Unidirectional adsorbate motion on a high-symmetry surface: “Walking” molecules can stay the course, Phys. Rev. Lett., 95, 166101 (2005); see also highlight in  Physics News Update (AIP) No751 #2 (2005) and  http://www.aip.org/pnu/2005/split/757-1.html for its selection as one of top 25 stories for 2005.

3.     S. Stolbov, T. S. Rahman, “First principles study of some factors controlling the rate of ammonia decomposition on Ni and Pd surfaces,” J. Chem. Phys.123, 204716, (2005).

4.     M.O. Jahma, M. Rusanen, A. Karim, I.T. Koponen, T. Ala-Nissila and T.S. Rahman,  “Diffusion and       submonolayer island growth during hyperthermal deposition on Cu(100) and Cu(111),” Surface Science 598, 246 (2005).

5.     S. Stolbov, S. Hong, A. Kara, and T. S. Rahman, “Origin of the C induced p4g reconstruction of Ni(001),” Phys. Rev. B 72,155423 (2005); also selected for the October 31, 2005 issue of Virtual Journal of Nanoscale Science & Technology (AIP, APS) http://www.vjnano.org/.

6.     O. Trushin, A. Karim, A. Kara , and T. S. Rahman, “Self-learning kinetic Monte Carlo method: Application to Cu(111),” Phys. Rev. B 72, 115401 (2005).

7.     S. Hong, T. S. Rahman, R. Heid and K. P. Bohnen, “First principles calculations of the phonon dispersion curves of H on Pt(111),” Phys. Rev. B 71, 245409 (2005).

8.     A. Kara and T. S. Rahman, “Vibrational dynamics and thermodynamics of surfaces and nanostructures,” Surf. Sci. Rep. 56, 159 (2005).

9.     S. Hong, T. S. Rahman, R. Heid, and K. P. Bohnen, “Insights from calculated phonon dispersion curves for an overlayer of H on Pt(111),” Surf. Sci. 587, 41 (2005).

10.   E. Cox, M. Li, P.-W. Chung, C. Ghosh, T.S. Rahman, C.J. Jenks, J.W. Evans, and P.A. Thiel, “Temperature-Dependence of Island Growth Shapes in Submonolayer Deposition of Ag on Ag(111)”, Phys. Rev. B 71, 115414 (2005).

11.   S. Durukanoglu, A. Kara and T.S. Rahman “The role of lattice vibrations in adatom diffusion at metal stepped surfaces,”. Surf. Sci., 587, 128 (2005) (invited paper).

12.   M. A. Ortigoza, R. A. Klemm, and T. S. Rahman, “Effect of dipolar interactions on the magnetization of cubic array of nanomagnets,”Phys. Rev. B 72, 174416 (2005).

13.   S. Hong, T. S. Rahman, R. Heid and K. P. Bohnen, “First-principles calculations of the dispersion of surface phonons on unreconstructed and reconstructed Pt(110),” Phys. Rev. B 72, 205424 (2005).

14.   C. Ghosh, A. Kara, T. S. Rahman, "Diffusion of two dimensional Cu islands on Cu(111), in Recent Developments in Computer Simulational Studies, edited by D. Landau, Springer Verlag, in press.

15.   T. S. Rahman, A. Kara, A. Karim, O. Trushin, “Cluster diffusion and coalescence on metal surfaces: applications of a Self-learning Kinetic Monte-Carlo method,” Proc. MRS Annual Meeting (JJ), Dec 2004, Eds. J. Evans and M. Asta, in press; (Cond-mat/0501414).

16.   C. Ghosh, A. Kara and T. S. Rahman, “Lateral and Vertical Manipulation of Adatoms on Surfaces,”Journal of Nanoscience and Nanotechnology, in press.

17.   S. Stolbov and T. S. Rahman, Alkali induced enhancement of surface electronic polarizibility: impact on vibrations of co-adsorbed molecules, submitted to Phys. Rev. Lett.; Cond-mat/0407404.

18.   A. Kara and T. S. Rahman, “Structure, Dynamics and Thermodynamics of a chiral surface: Cu(532),” submitted to J. Chem. Phys.; http://arxiv.org/abs/cond-mat/0501297.

19.   Aparna Deshpande, Danda P. Acharya, Joel Vaughn, Kai-F. Braun, Saw-W. Hla* Handan Yildirim, Abdelkader  Kara, Talat S. Rahman, “Atom-by-atom extraction by controlling a scanning tunneling microscope tip-cluster interaction,” submitted to Phys. Rev. Lett.

20.   S. Durukanoglu, O. Trushin and T.S. Rahman, “The effect of step-step separation on diffusion processes,” submitted to Phys. Rev B.

21.   A. Karim, A. Al-Rawi, A. Kara, O. Trushin, T. Ala Nissila and T. S. Rahman,  “Diffusion of small two dimensional Cu clusters on Cu(111): applications of a self learning kinetic Monte Carlo method,” to appear in Phys. Rev. B; http://arxiv.org/abs/cond-mat/0511563.

22.   F. Mehmood, A. Kara, K. P. Bohnen, and T. S. Rahman, “ A comparative study of the energetics of CO on stepped and kinked Cu surfaces using density functional theory,” submitted to Phys. Rev. B

23.   S. Stolbov, R. A. Klemm, and T. S. Rahman, “First-principles calculations of the magnetism of Fe2O2H2­, submitted; also available at http://arxiv.org/abs/cond-mat/0501178.

24.   H. Yildrim, A. Kara, and T. S. Rahman, E. D. Calisir, S. Erkoc, M. Selvi, and F. Erkoc, “Theoretical comparative study of the structure, dynamics and electronic properties of three allyl molecules: Allicin, methyl propyl disulfide (MPD) and allyl methyl sulfide (AMS),” to appear in International Journal of Pure and Applied Chemistry

25.   E. D. Calisir, S. Erkoc, H. Yildrim, A. Kara, and T. S. Rahman, M. Selvi, and F. Erkoc, “Theoretical      comparative study of the structure, dynamics and electronic properties of two allyl molecules: S-allyl      cysteine (SAC) and S-allyl mercaptocysteine (SAMC),” to appear in International Journal of Pure and Applied Chemistry.

26.   S. Hong, A. Kara, T. S. Rahman, R. Heid, and K. P. Bohnen, “Ab initio calculations of adsorbate induced Stress on Ni(100),'' Phys. Rev. B 69, 195403 (2004).

27.   S.  Stolbov, F. Mehmood, T. S. Rahman, I. Makkonen, P. Salo, and M. Alatalo, “Site selectivity in chemisorption of C on Pd(211),” Phys. Rev B 70, 155410 (2004).

28.   K. L. Wong, X. Lin, K.-Y. Kwon, G. Pawin, B. V. Rao, A. Liu and L. Bartels, S. Stolbov, and T. S. Rahman, “Halogen-Substituted Thiophenol Molecules on Cu(111),”Langmuir 20, 10928 (2004).

29.   T. S. Rahman, C. Ghosh, O. Trushin, A. Kara, and A. Karim, “Atomistic studies of thin film growth, Proc. SPIE Annual Meeting 5509, 1 (2004).

30.   A. Al-Rawi, A. Kara, and T. S. Rahman, “Theoretical study of the structure and vibrational dynamics of Cu3Au(511), J. Phys.: Condens. Matter 16, S2967, (2004).

31.   T. S. Rahman, A. Kara, and S. Durukanoglu, "Structural relaxations, vibrational dynamics and thermodynamics of vicinal surfaces,” J. Phys.: Condens. Matter 15, S3197 (2004).

32.   T. S. Rahman, C. Ghosh, O. Trushin, A. Kara, and A. Karim, “Atomistic Studies of Thin Film Growth, Proc. SPIE Annual Meeting 2004, 5509, 1 (2004);

33.   A. Karim, M. Rusanen, I. T. Koponen, T. Ala-Nissila, and T. S. Rahman, “Fluctuation of Surface Steps in Thermal Equilibrium: a kinetic Monte Carlo study,” Surf. Sci. 554, L113 (2004).

34.   A. Kara, A. Al-Rawi, and T. S. Rahman, “Vibrational dynamics and excess entropy of multi-grain nanoparticles,” J. Comp. and Theo. Nanoscience 1, 216 (2004).

35.   F. Baumberger, Th. Herrman, A. Kara, S. Stolbov. N. Esser, T. S. Rahman, J. Osterwalder, W. Richter, and T. Greber, “Optical recognition of atomic steps on surfaces,” Phys. Rev. Lett. 90, 177402 (2003).

36.   I. Makkonen, P. Salo, M. Alatalo, and T. S. Rahman, “Ab initio studies of stepped Pd surfaces with .and without S,” Phys. Rev. B, 67, 165415 (2003).

37.   R. Nunthel, T. Gleitsmann, P. Poulopoulos, A. Scherz, J. Linder, E. Kosubek, Ch. Litwinski, Z. Li, H. Wende, K. Baberschke, S. Stolbov, and T. S. Rahman, “Impact of surfactant-assisted epitaxial growth of Ni on Cu(001) on magnetic properties,” Surf. Sci. 531, 53 (2003).

38.   S. Durukanoglu and T. S. Rahman, “Structure of Ag(410) and Cu(320),” Phys Rev. B 67, 205406 (2003).

39.   S. Durukanoglu, A. Kara, and T.S. Rahman, "Excess and Local Thermodynamic Properties of Stepped Metal Surfaces," Phys. Rev. B 67, 235405 (2003).

40.   I. Makkonen, P. Salo, M. Alatalo, and T. S. Rahman, “Characteristics of adsorption of S on Pd vicinal surfaces,” Surf. Sci. 532-535, 154 (2003).

41.   M. Tringides, Z. Chvoj, C. Ghosh, and T. S. Rahman, “Prefactors for interlayer diffusion: Ag/Ag(111),” J. Phys.: Condensed Matter 15, 5223 (2003).

42.   T. S. Rahman, A. Kara, and S. Durukanoglu, “Structural relaxations, vibrational dynamics and thermodynamics of vicinal surfaces,” J. Phys. Condensed Matter, 15, S3197 (2003).

43.   S. Stolbov and T. S. Rahman, “Role of Long Range Interaction in Oxygen Superstructure Formation  on Cu(001) and Ni(001), Phys. Rev. Lett., 89, 116101 (2002).

44.   S.V. Stolbov and T. S. Rahman, “Relationship between electronic and geometric structures of the O/Cu(001) system,” J. Chem Phys, 117,  8523 (2002).

45.   M. Rusanen, I. T. Koponen, T. Ala-Nissila, C. Ghosh, and T. S. Rahman, “Morphology of ledge patterns during step flow growth of metal surfaces vicinal to fcc(001),” Phys. Rev. B 65 (Rapid Comm.), 041404 (2002).

46.   R. Heid, A. Kara, K. P. Bohnen, and T. S. Rahman,” Ab initio Calculations of Multilayer Relaxations of Stepped Cu Surfaces,” Phys. Rev. B 65, 115405 (2002).

47.   T. S. Rahman, J. D. Spangler, and A. Al-Rawi, “Temperature Variation of Surface Phonon Linewidth: low Miller index surfaces of Ag and Cu,” Surf. Sci. 502-503, 429, 2002.

48.   S.V. Stolbov, A. Kara, and T. S. Rahman, “Electronic Structure of the c(2x2)O/Cu(001) System,” Phys. Rev. B. 66, 245405 (2002).

49.   A. Kara and T.S. Rahman, “Phonons of metallic vicinal surfaces,” Surf. Sci. 502-503, 449, 2002 (invited paper).

50.   C. Ghosh, A. Kara, and T.S. Rahman, “Theoretical aspects of vertical and lateral manipulation of atoms,” Surf. Sci. 502-503, 519, 2002.

51.   A. Al-Rawi and T. S. Rahman, “Comparative Study of Anharmonic Effects on Ag(111), Cu(111), and Ni(111),” Phys. Rev. B. 66, 165439 (2002).

52.   Al-Rawi, C. Ghosh, P. Staikov, A. Kara, and T. S. Rahman, “Validity of the Quasiharmonic Analysis for Surface Thermal Expansion of Ag(111),” Phys. Rev. Lett. 86, 2074 (2001).

53.   A. Karim, A. Kara, A. Al-Rawi and T. S. Rahman, “Diffusion Paths, Barriers and Prefactors:  Ag clusters on Ag(111),” in Collective Diffusion on Surfaces:Correlation Effects and Adatom Interactions, edts M.C.Tringides and Z. Chvoj (Kluwer 2001).

54.   T. S. Rahman, “Simulations of Surface Phenomena,” in Methods in Materials Research, Ed. J. M. Sanchez, J. Wiley, NY (2001).

55.   P. Staikov and T.S. Rahman, "Multilayer Relaxations of Mg Surfaces", Phys. Rev. B60, 15613 (2000).

56.   A. Al-Rawi, A. Kara and T.S. Rahman, "Anharmonic Effects on Ag(111):  A Molecular Dynamics Study," Surface Science 446, 17 (2000).

57.   A. Kara, P. Staikov, T.S. Rahman, J. Radnik, R. Biage and H.J. Ernst, "High Frequency Phonon Modes on Stepped and Kinked Cu Surface: Experiment and Theory," Phys. Rev. B 61, 5714 (2000).

58.   W. Fei, A. Kara, and T.S. Rahman, "Contributions of Vibrational Dynamics to the Local and Excess Thermodynamic Properties of Cu3Au Surfaces," Phys. Rev. B61, 16105 (2000).