Uğur Bozkaya

Curriculum Vitae

Full Name:       Uğur  BOZKAYA

Date of Birth:   1 Feb 1982

E-mail: ugrbzky@gmail.com

Phone: +90 312 780 7918

Adress: Department of Chemistry,

Hacettepe University, Ankara 06800, Turkey

ORCID: 0000-0002-5203-2210

Education:

B.S.   Chemistry,  Gazi University, 2003.                        

Ph.D.  Chemistry,  Middle East Technical University, 2011.

             Positions:

  • 2004-2011, Teaching Assistant-Research Assistant. Department of Chemistry,  Middle East Technical University, Ankara 06800, Turkey.
  • 2009-2010, Visiting Scientist, Prof. Henry F. Schaefer Research Group, Center for Computational Chemistry, University of Georgia, Athens, GA 30602, USA.
  • 2011-2014, Assistant Professor, Department of Chemistry, Ataturk University, Erzurum 25240, Turkey.
  • 2012-2013, Visiting Scientist, Prof. C. David Sherrill Research Group, School of Chemistry and Biochemistry, Georgia Institue of Technology, Atlanta, GA 30332, USA.
  • 2014-2015, Associate Professor, Department of Chemistry, Ataturk University, Erzurum 25240, Turkey.
  • 2015-, Associate Professor, Department of Chemistry, Hacettepe University, Ankara 06800, Turkey.

Honors, Awards, and Scholarships:

  • TÜBİTAK(THE SCIENTIFIC AND TECHNOLOGICAL RESEARCH COUNCIL OF TURKEY) Science and Incentive Award (Basic Sciences, 2019) https://www.youtube.com/watch?v=zqgw7v85iEY&feature=youtu.be
  • Hacettepe University Science and Incentive Award (Science and Engineering, 2018)
  • Outstanding Young Scientists Award, Turkish Academy of Sciences, TUBA-GEBİP 2015
  • Outstanding Young Scientists Award, The Science Academy, BAGEP 2015
  • Research Incentive Award, METU Prof. Dr. Mustafa N. Parlar Foundation 2015
  • Scientific Incentive Award for Articles in Natural Sciences, Ataturk University 2015
  • Scientific Incentive Award for Articles in Natural Sciences, Ataturk University 2014
  • Scientific Incentive Award for Articles in Natural Sciences, Ataturk University 2013
  • Nattional Science Foundation (NSF) Postdoctoral Fellowship, School of Chemistry and Biochemistry, Georgia Institue of Technology, Atlanta, GA 30332, USA, 2012-2013
  • The Scientific and Technological Research Council of Turkey (TUBITAK)  Abroad Research Scholarship (BIDEB-2214), Center for Computational Chemistry, University of Georgia, 2009-2010
  • TUBITAK Ph.D. Research Scholarship (BIDEB-2211), Department of Chemistry,  Middle East Technical University, 2006-2011
  • Faculty Development Program Fellowship (OYP-1624), Department of Chemistry,  Middle East Technical University, 2004-2011
  • B. S. Graduation with 1st rank, Department of Chemistry, Gazi University, 2003
  • TUBITAK Scientist Development Group, Natural Sciences Undergraduate Fellowship, 2001-2003

Teaching Experience:

  • Computational Chemistry
  • Quantum Chemistry
  • Chemical Applications of Group Theory
  • Physical Chemistry
  • Introduction to Theoretical Chemistry
  • Statistical Thermodynamics
  • Molecular Dynamics Simulations
  • General Chemistry

Research Experience and Interest:

  • Development of new theoretical methods and their efficient programming.
  • Orbital-optimized coupled-cluster (OCC) and  Møller-Plesset perturbation theory (OMP).
  • Analytic derivatives for coupled-cluster (CC) and many-body perturbation theory (MBPT).
  • Density-fitting approximations for conventional and orbital-optimized CC and MBPT methods and their analytic derivatives.
  • Analytic derivatives for the density-fitted coupled-cluster theories.
  • Multireference CC and MBPT.
  • Excited state molecular properties via linear response theory.
  • Ionization potentials and electron affinities via the Extended Koopmans’ theorem (EKT).
  • Investigation of organic reaction mechanisms with quantum chemical methods.
  • Bond-breaking reactions, diradicals, and other non-dynamical correlation problems.
  • Open-shell noncovalent interactions.
  • Structure and thermochemistry of transition metal compounds.
  • Structure and energies for anionic water clusters.
  • C++ programming and development of the Psi4 (//www.psicode.org/) software.

Developed Ab Initio Programs (//www.psicode.org/psi4manual/master/occ.html) :

  1. Second-Order Møller-Plesset Perturbation Theory (MP2) energy and analytic gradients code.
  2. Third-Order Møller-Plesset Perturbation Theory (MP3) energy and analytic gradients code.
  3. MP2.5 energy and analytic gradients code.
  4. Linearized Coupled-Cluster Doubles (LCCD) energy and analytic gradients code.
  5. Orbital-Optimized Second-Order Møller-Plesset Perturbation Theory  (OMP2) energy and analytic gradients code.
  6. Orbital-Optimized Third-Order Møller-Plesset Perturbation Theory  (OMP3) energy and analytic gradients code.
  7. Orbital-Optimized MP2.5 (OMP2.5) energy and analytic gradients code.
  8. Orbital-Optimized Linearized Coupled-Cluster Doubles energy and analytic gradients code.
  9. Density-Fitted and Cholesky Decomposed Second-Order Møller-Plesset Perturbation Theory (DF-MP2 and CD-MP2) energy and analytic gradients code.
  10. Density-Fitted and Cholesky Decomposed Third-Order Møller-Plesset Perturbation Theory (DF-MP3 and CD-MP3) energy and analytic gradients code.
  11. Density-Fitted and Cholesky Decomposed MP2.5 (DF-MP2.5 and CD-MP2.5) energy and analytic gradients code.
  12. Density-Fitted and Cholesky Decomposed Linearized Coupled-Cluster Doubles (DF-LCCD and CD-LCCD) energy and analytic gradients code.
  13. Density-Fitted and Cholesky Decomposed Orbital-Optimized Second-Order Møller-Plesset Perturbation Theory (DF-OMP2 and CD-OMP2) energy and analytic gradients code.
  14. Density-Fitted and Cholesky Decomposed Orbital-Optimized Third-Order Møller-Plesset Perturbation Theory (DF-OMP3 and CD-OMP3) energy and analytic gradients code.
  15. Density-Fitted and Cholesky Decomposed Orbital-Optimized MP2.5 (DF-OMP2.5 and CD-OMP2.5) energy and analytic gradients code.
  16. Density-Fitted and Cholesky Decomposed Orbital-Optimized Linearized Coupled-Cluster Doubles (DF-OLCCD and CD-OLCCD) energy and analytic gradients code.
  17. Density-Fitted and Cholesky Decomposed Coupled-Cluster Singles and Doubles (DF-CCSD and CD-CCSD) energy and analytic gradients code.
  18. Density-Fitted and Cholesky Decomposed Coupled-Cluster Singles and Doubles with Perturbative Triples [DF-CCSD(T) and CD-CCSD(T)] energy and analytic gradients code.

Hacettepe University Chemistry Department
06800 Beytepe Ankara, TURKEY