Hüseyin Aksu, PhD

                     

1. Fehime Hayal Gecit and Hüseyin Aksu* "Charge Transfer Process within the isolated tetramer model of the Bacterial Reaction Center"J. Phys. Chem. B 2025, 129, 11, 2915–2924. Q2

2. Chandrima Chakravarty, Maximilian A. C. Saller, Huseyin Aksu, and Barry D. Dunietz ''Anisotropic Dielectric Screened Range-Separated Hybrid Density Functional Theory Calculations of Charge Transfer States Across an Anthracene-TCNQ Donor-Acceptor Interface''J. Chem. Theor. and Comput., 2024 20, 10751−10758. Q1

3. Khadiza Begam, Huseyin Aksu, and Barry D. Dunietz "On the antioxidative triplet excitation energy transfer in bacterial reaction center using a screened range separated hybrid functional" J. Phys. Chem. B, 2024, 128, 18, 4315–432. Q2

4. Murat Ertürk, Zühra Günes, and Hüseyin Aksu* "Understanding Primary Charge Separation and Revealing the Fermi Golden Rate in the Heliobacterium Modesticaldum Reaction Center", Revised Manuscript Submitted to J. Phys. Chem.  B, February 2025.Q2

5. Huseyin Aksu, and Barry D. Dunietz "Formation of the charge transfer state in the bacterial reaction center stands on the hydrogen bonded water molecule to Tyr-M210 and His-M202 bridging the special pair and branch A pigments"  To be submitted, 2025

6. Huseyin Aksu* "Photoinduced Charge Transfer in Xanthene Linked Bacteriochlorin Dyads"  Submitted to SAUJS (National Journal) , February 2025

7. Fehime Hayal Geçit, Zühra Günes, Murat Ertürk, Hüseyin Aksu* "The Role of Polar Functional Groups of the Special Pair on the Excites States in Terms of the Dielectric Environment: Screened Range Separated Time-Dependent Density Functional Theory", J. Adv. Res. Nat. Appl. Sci. (National Journal) 2025, 11(1),  82-94.   

8. Chandrima Chakravarty, Huseyin Aksu, Jessica A. Martinez, Pablo Ramos, Michele Pavanello, and Barry D. Dunietz, "Role of Dielectric Screening in Calculating Excited States of Solvated Azobenzene: A Benchmark Study Comparing Quantum Embedding and Polarizable Continuum Model for Representing the Solvent", J. Phys. Chem. Lett. 13, 4849-4855, 2022.  Q1

9. Chandrima Chakravarty, Huseyin Aksu, Buddhadev Maiti, and Barry D. Dunietz "Electronic Spectra of C60 Films using Screened Range Separated Hybrid Functionals" J. Phys. Chem. A, 125, 35, 7625–7632 (2021). Q2

10. Jacob Tinnin, Huseyin Aksu, Zhengqing Tong, Pengzhi Zhang, Eitan Geva, Barry D. Dunietz, Xiang Sun, Margaret S. Cheung "CTRAMER: An open-source software package for correlating interfacial charge transfer rate constants with donor/acceptor geometries in organic photovoltaic materials"   Package is @ https://github.com/ctramer                         J. Chem. Phys. 154, 214108 (2021). Q2

11. J. Han, P. Zhang, H. Aksu, B. Maiti, X. Sun, E. Geva, B. D. Dunietz, M. S. Cheung "On the Interplay between Electronic Structure and Polarizable Force Fields When Calculating Solution-Phase Charge-Transfer Rates” J. Chem. Theor. and Comput. 16, 10, 6481–6490 (2020). Q1

12. H. Aksu, B. Maiti, M. Ptaszek and B. D. Dunietz, “Photoinduced Charge Transfer in Linear Zn and Au-Ligated Symmetric and Asymmetric Bacteriochlorin Dyads: A Computational Study”  J. Chem. Phys. 153, 134111 (2020). Q2

13.  H. Aksu, P. Suranjan, J. M. Herbert, and B. D. Dunietz, “How Well Does Octa-Acid    Capsule Shield the Embedded Chromophore? A Computational Analysis Based on an    Anisotropic Dielectric Continuum Model” J. Phys. Chem. B, 124, 32, 6998–7004 (2020). Q2

14. J. Tinnin, S. Bhandari, P. Zhang, H. Aksu, B. Maiti, E. Geva, B. D. Dunietz, X. Sun, M. S. Cheung,” Molecular-Level Exploration of The Structure-Function Relations Underlying Interfacial Charge Transfer in The Subphthalocyanine: C60 Organic Photovoltaic System” Phys. Rev. Applied. 13, 054075 (2020). Q1 

15. A. Goker, H. Aksu*, and B. D. Dunietz, “Heat Flow Enhancement in a Nanoscale Plasmonic Junction Induced by Kondo Resonances and Electron-Phonon Coupling” (2021) Physica E: Low-dimensional Systems and Nanostructures, 127 (2021) 114536. Q2

16. S. Bhandari, A. Yamada, A. Hoskins, J. Payne, H. Aksu, and B. Dunietz “Achieving Predictive Description of Negative Differential Resistance in Molecular Conductance using a Range Separated Hybrid Functional” Adv. Theory Simul. 2021, 4, 2000016. Q2

17. H. Aksu, A. Schubert, S. Bhandari, A. Yamada. E. Geva and B. D. Dunietz “On the Role of the Special Pair in Photosynthesis as a Charge Transfer Rectifier.”, J. Phys. Chem .B 124 (10) 1987-1994 (2020). Q2

18. H. Aksu, A. Schubert, E. Geva, and B. D. Dunietz “Explaining Spectral Asymmetries and Excitonic Characters of the Core Pigment Pairs in the Bacterial Reaction Center Using Screened Range-Separated Hybrid Functionals.”, J. Phys. Chem .B, 123, 8970-8975 (2019). Q2

19. H. Aksu*, A.Göker “GW electron-electron interaction effects within the Anderson impurity model: The characteristic of the Kondo resonance and quantum transport properties”, Physica E: Low-dimensional systems and nanostructures, 87 10 (2017). Q2

20. A. Göker, H. Aksu “Quantum transport through a Coulomb blockaded diatomic molecule coupled to a plasmonic dimer” Phys. Chem. Chem. Phys., 18 1980 (2016). Q2

21. H. Aksu* “Molecular application of State-Specific Multireference second-order Brillouin-Wigner perturbation theory ” Chin Phys Lett 33 (No:2) 023102 (2016). Q3

22. H.Aksu*, “An alternative approximation to State-Specific Multireference second-order Brillouin-Wigner perturbation theory: Size-extensivity correction” Theor Chem Acc 132:1325(2013). Q3

23. H.Aksu*, “Second-Order Brillouin-Wigner Perturbation Theory: Size-Extensivity Correction”. Theor Chem Acc 131:1285(2012). Q3

24. H. Aksu*, “Some Non-Relativistic Many Electron Theories: Single Reference Case”. Review Article, Cent. Eur. J. Chem. 10(5) (2012) 1383-1390. QX

25. I.I. Guseinov, H. Aksu*, “Ground-state energy calculations of isoelectronic series of He in double-zeta approximation using Coulomb potential with noninteger indices” Chinese Physics Letters 25 3(2008)896. Q3

26. I.I. Guseinov, M. Ertürk, E. Şahin, H. Aksu “Calculations of isoelectronic series of He using noninteger n-Slater type orbitals in single and double zeta approximations” Chinese Journal of Chemistry" 26(2008)213. Q3

27. I.I. Guseinov, M. Ertürk, E. Şahin, H. Aksu and A. Bağcı “Calculation of negative ions of B, C, N, O and F using noninteger n Slater type orbitals “journal of Chinese  Chemical Society” 55(2008)303. Q3

28. I.I. Guseinov, B. A. Mamedov, M. Ertürk, H. Aksu and E. Şahin “Application of Hartree-Fock Theory to Atoms with Arbitrary Number of Closed and Open Shells of Any Symmetry” Few Body Systems 41(2007)211. Q2

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