PUBLICATIONS

Books and Book Chapters



Metallic Systems: A Quantum Chemists Perspective
Edited by Orkid Coskuner, Thomas Allison, Carlos A Gonzalez, CRC Press, 2011, ISBN: 978-1-4200-6077-5
Chapter 10: Density Functional Theory Calculations on Cobalt and Platinum Transition Metal Clusters by Ali Sebetci






Metallic Clusters: Computer Simulations on Structures, Energetics, and Thermodynamics

by Ali Sebetci, Verlag Dr. Müller, 2010, ISBN: 978-3-639-22820-5




Papers (SCI)

BH-DFTB/DFT calculations for iron clusters, A. Aktürk and A. Sebetci, AIP Advances 6, 055103 (2016)

Modeling of RNA nanotubes using molecular dynamics, S. R. Badu, R. Melnik, M. Paliy, S. Prabhakar, A. Sebetci, B. A. Shapiro, Eur. Biophys J. 43, 555 (2014)

The influence of unsaturated hydrocarbon ligands on the stabilization of platinum tetramer, M. Aslan, Z. Öztürk, A. Sebetci, J. Cluster Sci. 25, 1187 (2014)

New minima for the Pt8 cluster, A. Sebetci, Comp. Mater. Sci. 78, 9 (2013)

Interaction of Carbon Monoxide with Bimetallic Co-Pt Clusters: A Density Functional Theory Study, A. Sebetci, Comp. Mater. Sci. 58, 77 (2012)

Density Functional Study of Small Cobalt-Platinum Nanoalloy Clusters, A. Sebetci, J. Magn. Magn. Mater. 324, 588 (2012)

Spatially Homogeneous QM/MM for Systems of Interacting Molecules with on-the-fly ab initio Force-Field Parametrization, A. Sebetci, G.J.O. Beran, J. Chem. Theory Comput. 6, 155 (2010)

Gd@C82: Origin of the Antiferromagnetic Coupling Between Endohedral Gd and the Free Spin on the Carbon Cage, A. Sebetci, M. Richter, J. Phys. Chem. C 114, 15 (2010)

Does Spin-Orbit Coupling Effect Favor Planar Structures for Small Platinum Clusters?, A. Sebetci, Phys. Chem. Chem. Phys. 11, 921 (2009)

Cobalt Clusters (Con , n ≤ 6) and Their Anions, A. Sebetci, Chem. Phys. 354, 196 (2008)

Free Standing Double Walled Boron Nanotubes, A. Sebetci, E. Mete, I. Boustani, J. Phys. Chem. Solids 69, 2004 (2008)

A Density Functional Study of Bare and Hydrogenated Platinum Clusters, A. Sebetci, Chem. Phys. 331, 9 (2006)

Thermodynamics of Small Platinum Clusters, A. Sebetci, Z.B. Guvenc, H. Kokten, Comp. Mater. Sci. 35, 192 (2006)

Global Minima of AlN, AuN and PtN, N ≤ 80, Clusters Described by Voter-Chen Version of Embedded-Atom Potentials, A. Sebetci, Z.B. Guvenc, Modelling Simul. Mater. Sci. Eng. 13, 683 (2005)

Molecular Dynamics Simulation of the Melting Behavior of 12-, 13-, 14-Atom Icosahedral Platinum Clusters, A. Sebetci, Z.B. Guvenc, Modelling Simul. Mater. Sci. Eng. 12, 1131 (2004)

Global Minima for Free PtN Clusters (N=22-56): A Comparison Between the Searches with a Molecular Dynamics Approach and a Basin-Hopping Algorithm, A. Sebetci, Z.B. Guvenc, E. Phys. J. D 30(1), 71 (2004)

Phase Changes in Icosahedral 54-, 55-, 56-Atom Platinum Clusters, A. Sebetci, Z.B. Guvenc, H. Kokten, Int. J. Mod. Phys. C 15(7), 981 (2004)

Energetics and Structures of Small Clusters, PtN, N=2-21, A. Sebetci, Z.B. Guvenc, Surf. Sci. 525, 66 (2003)

Proceedings

The influence of thermo-mechanical effects on the relaxed shape graphene, S. Prabhakar, R. Melnik, and A. Sebetci, in Proceedings of the 9th International Conference on Engineering Computational Technology, Paper 66, 6 pages, Naples, Italy, 2-5 September 2014, P. Ivanyi and B.H.V. Topping (Eds.), Civil-Comp Press, ISBN 978-1-905088-60-7

Molecular Dynamics studies of RNA nanotubes, S. Badu, R. Melnik, M. V. Paliy, S. Prabhakar, A. Sebetci, and B. A. Shapiro, The 11th World Congress on Computational Mechanics (WCCM XI), 2014, E. Onate, X. Oliver, and A. Huerta (Eds.), Barcelona, Spain, 20-25 July 2014, DL: B-17935-2014, ISBN: 978-84-942844-7-2

Coupled multi-dimensional models for shape memory alloy nanostructures: microstructure evolution in nanofilms, R. Dhote, H. Gomez, R. Melnik, A. Sebetci, and J. Zu, in Proceedings of 6WCSCM - Sixth World Conference on Structural Control and Monitoring, Paper 445, 5 pages, Barcelona, Spain, 15-17 July 2014, J. Rodellar, A. Guemes, and F. Pozo (Eds.), CIMNE, ISBN: 978-84-942844-5-8

Tuning vibration frequencies with shape memory alloys in precision engineering applications, R. Melnik, A. Sebetci, and L. Wang, in Proceedings of the 14th EUSPEN International Conference, Vol. 2, pp. 400-403, Dubrovnik, Croatia, 2-6 June 2014, Published by EUSPEN, ISBN 14: 978-0-9566790-3-1

Modeling And Control Of Berry Phase In Quantum Dots, S. Prabhakar, R. Melnik, A. Sebetci, in Proceedings 28th European Conference on Modelling and Simulation, pp.166-170, Brescia, Italy, 27-30 May 2014, F. Squazzoni, F. Baronio, C. Archetti, and M. Castellani (Eds.), ISBN CD: 978-0-9564944-9-8, ISBN Printed: 978-0-9564944-8-1

Rashba spin-orbit coupling effects in armchair graphene nanoribbons, S. Prabhakar, R. Melnik, A. Sebetci, in Proceedings of the 4th International Advances in Applied Physics and Materials Science Congress & Exhibition, 24-27 April 2014 (Book of Abstracts, p. 943, ID-1116), to appear in American Institute of Physics Proceedings

Nanostructures with shape memory effect: modelling coupled dynamics, R. P. Dhote, J. Zu, R.V.N. Melnik, A. Sebetci, and H. Gomez, in Proceedings of the 2014 IEEE XXXIV International Scientific Conference Electronics and Nanotechnology, pp. 123-125, 2014, Kyiv, Ukraine, 15-18 April 2014, IEEE Catalog Number: CFP14O5U-PRT, ISBN: 978-1-4799-4581-8

High performance computing studies of RNA nanotubes, S. R. Badu, R. Melnik, M. Paliy, S. Prabhakar, A. Sebetci, and B. A. Shapiro, in Proceedings of the International Work-Conference on Bioinformatics and Biomedical Engineering, Vol. 1, pp. 601-607, F. Ortuno, I. Rojas (Eds.), Granada, Spain, 7-9 April 2014, DL: GR 738/2014, ISBN: 978-84-15814-84-9

Computational models for the Berry phase in semiconductor quantum dots, S. Prabhakar, R. Melnik, A. Sebetci, in Proceedings of ICCMSE-2014, Athens, Greece, 4-7 April 2014, AIP Conference Proceedings 1618, 64 (2014); doi: 10.1063/1.4897675

Affordable Quantum Chemistry for Large Molecular Clusters, G.J.O. Beran, A. Sebetci, K. Nanda, K. Theel, Abstr. Papers Am. Chem. Soc. 239, Meeting Abstract: 239-PHYS (2010)

Research Images

Books

Metallic Systems: A Quantum Chemists Perspective, Edited by Orkid Coskuner, Thomas Allison, Carlos A Gonzalez, CRC Press, 2011

Metallic Clusters: Computer Simulations on Structures, Energetics, and Thermodynamics, Verlag Dr. Müller, 2010

Contact

E-mail: alisebetci(at)yahoo.com