Group

Aslı ÜNAL

 

Address : Department of Chemistry, Hacettepe University, Ankara 06800, Turkey
e-mail     : asliunal08@gmail.com, asli.unal@hacettepe.edu.tr

 

Education

BSc   Chemistry Department, Faculty of science, Hacettepe University,  Ankara, 2013.
MSc  Chemistry Department, Graduate School of Science and Engineering, Hacettepe University, Ankara, 2017.
PhD  Chemistry Department, Graduate School of Science and Engineering, Hacettepe University, Ankara, 2017-..

 

Research Areas:

  • Structure and energies for anionic, cationic and neutral water clusters.
  • Ionization potentials and electron affinities via the Extended Koopmans’ theorem (EKT).
  • C++ programming and development of new theoretical methods.
  • Investigation of singlet-triplet energy differences for charge-transfer compounds such as OLED materials using multireference methods.
  • Efficient Programming of the Equation-of-Motion Approach for Coupled-Cluster and Perturbation Theory Methods with Density-Fitting Technique.
  • Investigation of the effect of anharmonic force fields in water clusters.


Fatma AKSAKAL

Address : Department of Chemistry, Hacettepe University, Ankara 06800, Turkey

e-mail     :  fatmaaksakal@hacettepe.edu.tr

Education

BSc  Ataturk University, Chemistry Teaching, Erzurum, 2006.
MSc  Ataturk University, Department of Chemistry, Erzurum, 2008.
PhD  Gebze Technical University, Department of Chemistry, Kocaeli, 2015.

Research Areas

  • Investigation of organic thermal rearrangament reaction mechanisms with ab initio methods.
  • Theoretical investigation of the thermoelectric properties of metal oxide thin films and covalent organic frameworks.
  • Structure-activity relationships (SAR) of COX-2 selective and COX-2/5-LOX dual inhibitors.
  •  Investigation of enzyme/ligand interactions with molecular docking and molecular dynamics simulations.
  • Adsorption at the solid/liquid interfaces. Preparation and characterization of polymer/clay nanocomposite materials.


Emine SOYDAŞ

 

Adress : Department of Chemistry, Hacettepe University, Ankara 06800, Turkey.

e-mail   : eminesoydas@hacettepe.edu.tr

 

Education

BSc Ataturk University, Chemistry Department, Erzurum, 2011.
MSc Ataturk University, Chemistry Department, Erzurum, 2015.
PhD Ataturk University, Graduate School of Science and Engineering, Chemistry Department, Erzurum, 2018-...

Research Areas:

  • Neutral, cationic and anionic water clusters.
  • Structures and thermochemistry of transition metal compounds
  • Nonkovalent interactions of open-shell molecular systems such as cation-π, anion-π.
  • İnvestigation of organic reaction mechanisms with quantum Ab Initio methods.
  • Assessment Of The Orbital-Optimized Moller Plesset(OMP) And Coupled-Electron Pair Theories(OCC) For Thermochemistry And Kinetics.


Yavuz ALAGÖZ 

 

Address : Department of Chemistry, Hacettepe University, Ankara 06800, Turkey.
e-mail     : yavuzalagoz@hacettepe.edu.tr, algzyvz@gmail.com

 

Education

BSc   Chemistry Department, Faculty of science, Hacettepe University,  Ankara, 2019.
MSc   Chemistry Department, Graduate School of Science and Engineering, Hacettepe University, Ankara, 2019.

 

Research Areas:

  • C++ programming and development of new theoretical methods.
  • Efficient Programming of the Cluster in molecule local correlation method for cc and mp methods


Betül ERMİŞ 

 

Address : Department of Chemistry, Hacettepe University, Ankara 06800, Turkey.
e-mail     : ermisbetul@gmail.com

 

Education

BSc   Chemistry Department, Faculty of science, Hacettepe University,  Ankara, 2019.
MSc   Chemistry Department, Graduate School of Science and Engineering, Gazi University, Ankara, 2019.

 

Research Areas:

  • C++ programming and development of new theoretical methods.
  • Programming of molecular fragmentation methods.


Abdurrahman ATALAY

 

Address : Department of Chemistry, Hacettepe University, Ankara 06800, Turkey.
e-mail     : atalay.abdurrahman@gmail.com

 

Education
BSc Chemistry Department, Faculty of science, Karadeniz Technical University, Trabzon, 2010.
MSc Chemistry Department, Graduate School of Science and Engineering, Karadeniz Technical University, Trabzon, 2013.
PhD Chemistry Department, Graduate School of Science and Engineering, Karadeniz Technical University, Trabzon, 2018.

Research Areas:

  • Theoretical investigation of mechanism and thermochemistry of pericyclic reactions.
  • Transition-metal catalyzed C-H bond activation/functionalization.
  • Thermochemical investigation of organometallic compounds.
  • Investigation of organic reaction mechanisms with ab initio methods.


Berfin Yaren ÖZDEMİRCAN

Address : Department of Chemistry, Hacettepe University, Ankara 06800, Turkey.
e-mail     : yarenozdemircan@gmail.com

 

Education

BSc   Chemistry Department, Faculty of science, Hacettepe University,  Ankara, 2016-...

Research Areas:
- Ionic hydrogen clusters.
- C++ programming and development of new theoretical methods.

 

 

 



Bahar FİLİZ

Adress  :  Department of Chemistry, Hacettepe University, Ankara 06800, Turkey.
e-mail    :  baharfiliz147@gmail.com

 

Education

BSc   Chemistry Department, Faculty of science, Hacettepe University,  Ankara, 2015-...

Research Areas:

- Calculation of dipole moments using coupled cluster methods.
- Anionic water clusters.

 



Emel EKİNCİ

Adress   : Department of Chemistry, Hacettepe University, Ankara 06800, Turkey.
e-mail     : emell.ekinci@gmail.com

Education

BSc  Chemistry Department, Faculty of science, Ahi Evran University, Kırşehir, 2012.
MSc Chemistry Department, Graduate School of Science and Engineering, Ahi Evran Üniversitesi, Kırşehir, 2016
PhD Graduate School of Health Sciences, Department of Biophysics, Gazi Üniversitesi, Ankara, 2018-..

Araştırma alanları:

- Investigation of protein/protein and protein/ligand interactions with molecular dynamics simulations.
- Cationic water clusters.

 



Süleyman Aykut SERVAN

Adress  :  Department of Chemistry, Hacettepe University, Ankara 06800, Turkey.
e-mail    :  aykut.servan12@hacettepe.edu.tr, aykutservan@gmail.com

 

Education

BSc   Chemistry Department, Faculty of science, Hacettepe University,  Ankara, 2020.

Research Areas:

Investigation of singlet-triplet energy differences for charge-transfer compounds such as OLED materials using multireference methods.
Highly accurate calculation of bond dissociation energy of transition metal dimers using multi-configuration methods.

 



Vural Mert GÜNGÖR

Adress  :  Department of Chemistry, Hacettepe University, Ankara 06800, Turkey.
e-mail : mert_e98@hotmail.com

Education

BSc   Chemistry Department, Faculty of science, Hacettepe University,  Ankara, 2020-...

 

Research Areas:

- C++ programming and development of new theoretical methods.

 
 
 


 

 

Hacettepe University Chemistry Department
06800 Beytepe Ankara, TURKEY