24

Adem Tekin   

Adem TEKİN


Assist.Prof.Dr.

Istanbul Technical University - Informatics Institute

Tel:  +90 (212) 285 6952
e-mail: adem.tekin@be.itu.edu.tr
web page

 

 



RESUME and PUBLICATIONS 

Education

·   PhD, 2004 : Physical Chemistry Institute, University of Kiel (Germany)

·   MSc, 2001 : Chemistry Department, Istanbul Technical University

·   BSc, 1999 : Chemistry Department, Istanbul Technical University

Professional experiences (in chronological order)

·   2010-     : Assistant Professor, Informatics Institute, Istanbul Technical University

·   2008-2010: Postdoc, Physics Department, Technical University of Denmark

·   2005-2007: Postdoc, Theoretical Organic Chemistry Dept., University of Duisburg-Essen

·   2002-2004: Research Assistant, Physical Chemistry Institute, University of Kiel (Germany)

·   2001-2002: Research Assistant, Theoretical Chemistry Institute, University of Stuttgart (Germany)

Administrative Activities (in chronological order)

·   2010-        : European Union 7. Framework (2007-2013), Coordinator of Informatics Institute

Courses (for last 10 years, in chronological order)

Name of program: “Computational Science and Engineering (Informatics Institute)” Graduate Program

2012-2013 Fall

·   Fundamental Informatics Software (in Turkish),

·   Chemoinformatics,

2011-2012 Spring

·   Fundamental Informatics Software (in Turkish),

·   Computational Design of Energy Materials,

·   Scientific Computing II (in Turkish),

2011-2012 Fall

·   Fundamental Informatics Software (in Turkish),

·   Chemoinformatics,

2010-2011 Spring

·   Fundamental Informatics Software (in Turkish),

·   Computational Design of Energy Materials,

2010-2011 Fall

·   Fundamental Informatics Software (in Turkish),

·   Chemoinformatics,

2009-2010 Spring

·   Fundamental Informatics Software (in Turkish)

Research Interests (max. 5)

·   Computational Design of Energy Materials

·   Hydrogen Storage

·   Catalyst Design for Biodiesel Production

·   Global Optimization

·   Force-Field Development

Referee for International Journals (in alphabetic order)

·   Physica B: Condensed Matter

Supervised thesis completed (in chronological order)

·   Master of Science Thesis

·   Hydrogen Adsorption on Functionalized Single-Walled Carbon Nanotubes: A DFT Study, (Süha Erhan Ünal, Energy Institute 2012)

·   Experimental and Theoretical Investigations of Quaternary Amine Surfactant adsorption onto Sepiolite Clay (Deniz Karatas, Graduate School Of Scıence, Engıneerıng And Technology, 2011)

Projects (research projects supported by BAP, TUBITAK, IAEA, FP7 and Industry, in chronological order)

Project Title: Intermolecular Interactions in DNA bases

Supported by: TUBITAK

Budget:89.000 TL

Dates:2011-2013

Responsibility:Leader

Papers published in peer reviewed international journals (in chronological order)

1.   M. Boning, B. Stuhlmann, G. Engler, M. Busker, T. Haber, A Tekin, G. Jansen, K. Kleinermanns, Towards a spectroscopical and theoretical identification of the isolated building-blocks of the benzene-acetylene cocrystal, ChemPhysChem, In Press (2012).

2.   R. Caputo, A. Tekin, Lithium dihydroborate. First-principles structure prediction of LiBH2, Inorg. Chem., 51, 9757, (2012).

3.   B. Sutay, A. Tekin, M. Yurtsever, Intermolecular interactions in nitrogen containing aramatic systems, Theor. Chem. Acc., 131, 1120, (2012).

4.   C. Leforestier, A. Tekin, G. Jansen, M. Herman, First principles potential for the acetylene dimer and refinement by fitting to experiments, J. Chem. Phys., 135, 234306, (2011).

5.   A. J. Churchard et. al, A multifaceted approach to hydrogen storage, Phys. Chem. Chem. Phys., 13, 16955, (2011).

6.   A. D. Boese, H. Forbert, M. Masia, A. Tekin, D. Marx, G. Jansen, Constructing simple yet accurate potentials for descibing the solvation of HCl/Water clusters in bulk Helium and Nanodroplets, Phys. Chem. Chem. Phys., 13, 14550, (2011).

7.   R.Caputo, A. Tekin, Ab-initio crystal structure prediction. A case study: NaBH4, J. Solid State Chem., 184, 1622, (2011).

8.   A. Tekin, R. Caputo, A. Züttel, First-principles determination of the ground-state structure of LiBH4, Phys. Rev. Lett., 104, 215501, (2010).

9.   A. Tekin, J. S. Hummelshøj, H. S. Jacobsen, D. Sveinbjörnsson, D. Blanchard, J. K. Nørskov, T. Vegge, Ammonia dynamics in magnesium ammine from DFT and neutron scattering, Energy Environ. Sci., 3, 448, (2010).

10. R. Caputo, A. Tekin, W. Sikora, A. Züttel, First-principles determination of the ground-state structure of Mg(BH4)2, Chem. Phys. Lett., 480, 203, (2009).

11. J. S. Hummelshoj et al., Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project, J. Chem. Phys., 131, 014101, (2009).

12. E. Sanchez, A. Mardyukov, A. Tekin, R. Crespo-Otero, L. A. Montero, W. Sander, G. Jansen, Ab initio and matrix isolation study of the acetylene - furan dimer, Chem. Phys., 343, 168, (2008).

13. A. Tekin, G. Jansen, How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH-π and π-π interactions? A comparison to supermolecular calculations for the acetylene-benzene dimer, Phys. Chem. Chem. Phys., 9, 1680, (2007).

14. A. Tekin, B. Hartke, Global geometry optimization of silicon clusters employing empirical potentials, density functionals, and ab initio calculations, J. Theo. Comp. Chem., 9, 1680, (2007).

15. A. Tekin, B. Hartke, Global geometry optimization of small silicon clusters with empirical potentials and at the DFT level, Phys. Chem. Chem. Phys., 6, 503, (2004).

16. A. Tekin, M. Yurtsever, Y. Yağcı, Structural effects in the addition-fragmentation reaction of allylic onium salts, Macromol. Theo. Simul., 11, 766, (2002).

17. A. Tekin, M. Yurtsever, Molecular dynamics simulation of phase transitions in binary LJ clusters, Turk. J. Chem., 26, 627, (2002).

Total cities of international journal publications: 169 (source: Web of Science, as of 11/11/2012)

International Conference Papers (in chronological order)

Published in international conference proceedings

1.   D. Karatas, M. S. Çelik, A. Tekin, A theoretical and experimental study on adsorption of quaternary amines onto sepiolite, XIII. International Mineral Processing Symposium, 10-12 October, 2012, Bodrum, (Turkey). (Talk)

2.   T. Vegge, J. S. Hummelshoj, D. Landis, J. Voss,  A. Tekin, Computational design of ternary metal borohydrides and metal ammines, 2009 Fall Meeting of American Chemical Society, August, 2009, Washington DC, (USA). (ACS, Division of Fuel Chemistry, 54 (2), 885, (2009)) (Talk)

3.   T. Vegge, J. S. Hummelshoj, D. Landis, J. Voss,  A. Tekin, Computational design of ternary metal borohydrides and metal ammines, Gordon Research Conference: Hydrogen-Metal Systems, July, 2009, Barga, (Italy). (Abstract of Papers, 238th ACS National Meeting, Fuel-223, (2009)) (Talk)

Published in international conference abstract books

1.   A. Kupczak, W. Sikora, R. Caputo, A. Tekin, Ab-initio crystal structure prediction by combining symmetry analysis representations and total energy calculations. A case study Mg(BH4)2, International Symposium on Metal-Hydrogen Systems, 21-26 October, 2012, Kyoto, (Japan). (Poster)

2.   A. Manukyan, A. Tekin, Potential energy surface of cytosine dimer, X Girona Seminar on Theoretical and Computational Chemistry for the Modelling of Biological Systems, 2-5 July, 2012, Girona, (Spain). (Talk)

3.   R. Caputo, A. Tekin, Ab-initio crystal structure prediction: M(BHx), Swiss Society of Crystallography, 21-22 June, 2012, ETH Zurich, (Switzerland). (Poster)

4.   A. Şenyer, A. Tekin, N. Karatepe, Adsorption properties of hydrogen on metal decorated carbon nanotubes, Global Conference on Global Warming, 8-12 July, 2012, İstanbul, (Turkey). (Talk)

5.   W. Sikora, R. Caputo, A. Tekin, A. Kuna, A. Kupczak, Symmetry relations and phase stability of magnesium borohydride Mg(BH4)2, International Union of Crystallography 2011, 22-30 August, 2011, Madrid, (Spain). (Poster)

6.   A. Tekin, Crystal structure predictions for hydrogen storage matrials & ammonia dynamics in magnesium ammine, Nano and Surface Science Approaches to Production and Storage of Hydrogen, 14-19 November, 2010, Noordwijkerhout, (The Netherlands). (Talk)

7.   A. Tekin, Crystal structure predictions for hydrogen storage materials, ammonia dynamizs in magnesium ammine and catalytic ammonia decomposition, University of Duisburg-Essen, October, 2009, Essen, (Germany). (Talk)

8.   A. Tekin, Global optimizations applied to clusters and hydrogen stprage materials, University of Iceland, March, 2009, Reykjavik, (Iceland). (Talk)

9.   A. Tekin, T. Vegge, J. K. Norskov, Diffusion pathways of NH3 in Mg(NH3)xCl2 from DFT calculations, 3. Symposium Hydrogen & Energy, 25-30 January, 2009, Braunwald, (Switzerland). (Talk)

10. A. Tekin, T. Vegge, J. K. Norskov, Diffusion pathways of NH3 in Mg(NH3)xCl2 from DFT calculations, Technical University of Denmark - NanoDay, December, 2008, Lyngby, (Denmark). (Poster)

11. A. Tekin, Euroscience Open Forum, July, 2008, Barcelona, (Spain).

12. A. Tekin, T. Vegge, J. K. Norskov, Indirect hydrogen storage, European Marie Curie Conference, July, 2008, Barcelona, (Spain). (Poster)

13. A. Tekin, J. S. Hummelshoj, J. Voss, T. Vegge, J. K. Norskov, Diffusion pathways of NH3 in Mg(NH3)xCl2 from DFT calculations, International Symposium on Metal-Hydrogen Systems, 24-28 June, 2008, Reykjavik, (Iceland). (Poster)

14. A. Tekin, T. Vegge, J. K. Norskov, Fast crystal structure predictions and rotation & diffusion pathways in Mg(NH3)xCl2, Copenhagen University - NanoDay, April, 2008, Copenhagen, (Denmark). (Poster)

15. A. Tekin, T. Vegge, J. K. Norskov, Fast crystal structure predictions and rotation & diffusion pathways in Mg(NH3)xCl2, Danish Center for Scientific Conference, April, 2008, Lyngby, (Denmark). (Poster)

16. A. Tekin, G. Jansen, CH-π and hydrogen-bonded interactions of acetylene with (hetero-) aromatic systems, 12. International Conference on the Applications of Density Functional Theory, 26-30 August, 2007, Amsterdam, (The Netherlands). (Poster)

17. A. Tekin, Fitting ab-initio potential energy surfaces, Ruhr-Universitat Bochum, October, 2007, Bochum, (Germany). (Talk)

18. A. Tekin, G. Jansen, Intermolecular potentials for the interaction of acetylene with (hetero-) aromatic systems, 42. Symposium for Theoretical Chemistry, 3-6 September, 2006, Erkner-Berlin, (Germany). (Poster)

19. A. Tekin, G. Jansen, Potential energy surfaces for acetylene-furan and the interactions of helium with smaşş molecules and ions, Workshop for Forschergruppe 618, Ruhr Universitat Bochum, February, 2006, Bochum, (Germany). (Talk)

20. A. Tekin, G. Jansen, Intermolecular potentials for the interaction of acetylene with (hetero-) aromatic systems, Workshop for Forschergruppe 618, Ruhr Universitat Bochum, December, 2006, Bochum, (Germany). (Talk)

21. A. Tekin, B. Hartke, Global geometry optimization of small silicon clusters, 102. Bunsentagung, 29-31 May, 2003, Kiel, (Germany). (Poster)

22. A. Tekin, M. Yurtsever, The study of the effect of alkyl substitution of the geometry of oligothiophenes by quantum mechanical techniques, Interanational Symposium on the Treatment of Complex Chemical Systems: New Concepts in Theory and Experiment, 27-29 May, 1999, Darmstadt, (Germany). (Poster)

Published in national conference abstract books

1.   A. Manukyan, A. Tekin, Intermolecular interactions in cytosine dimer, 26. National Chemistry Congress, 1-6 October, 2012, Mugla, (Turkey). (Talk)

2.   R. Kobak, A. Tekin, Do the asymmetrically substituted phthalocyanines with bulky groups really undergo aggregation?, 26. National Chemistry Congress, 1-6 Ekim, 2012, Mugla, (Turkiye). (Poster)

3.   A. Tekin, Computational design of metal borohydrides and metal ammines for energy storage, 15. National Liquid Phase Physics Symposium, November, 2011, University of Piri Reis, Tuzla-İstanbul, (Turkey). (Talk)

4.   A. Tekin, Indirect hydrogen storage in metal ammines, 7. Nanoscience and Nanotechnology Conference, 27 June – 01 July, 2011, Tuzla-İstanbul, (Turkey). (Poster)

5.   A. Şenyer, A. Tekin, N. Karatepe, Hydrogen storage in metal decorated carbon nanotubes, 7. Nanoscience and Nanotechnology Conference, 27 June – 01 July, 2011, Tuzla-İstanbul, (Turkey). (Poster)

6.   A. Tekin, Intermolecular potentials for acetylene, benzene and acetylene-benzene dimers and acetylene-benzene aggregates, IX Chemical Physics Congress, 14-16 October, 2010, İzmir, (Turkey). (Talk)

7.   A. Tekin, Global optimizations applied to clusters and hydrogen storage materials, İzmir Institute of Technology, March, 2009, İzmir, (Turkey). (Talk)

8.   A. Tekin, Global optimizations applied to clusters and hydrogen storage materials, İstanbul Teknik Üniversitesi, March, 2009, İstanbul, (Turkey). (Talk)

9.   A. Tekin, M. Yurtsever, Investigation of AFA (Addition-Fragmentation Agents) reactions by quantum mechanical techniques, 14. National Chemistry Congress, 10-15 September, 2000, Diyarbakır, (Turkey). (Poster)