Uğur Bozkaya Araştırma Grubu
PSI4
Cover Art
TÜBA-GEBİP Ödül Töreni
TÜBA-GEBİP Ödül Töreni
Coupled-Cluster (CC)
Su Kümeleri
Katyon-Pi Etkileşimleri
Parlar Vakfı Ödül Töreni
Beytepe
Sunumlar

ULUSLARARASI KONGRELER 

  1. Bozkaya, U.; Turney, J. M.; Yamaguchi, Y.; Schaefer, H. F., “The Lowest-Lying Electronic Singlet and Triplet Potential Energy Surfaces for the HNO-NOH System: Energetics, Unimolecular Rate Constants, Tunneling and Kinetic Isotope Efects for the Isomerization and Dissociation Reactions”, 89 pp. Molecular Quantum Mechanics: From Methylene to DNA and Beyond (A Conference in Honor of Henry F. Schaefer III) Berkeley, CA (USA), Mayıs 2010.
  2. Bozkaya, U., “Analytic Energy Gradients for Density-Fitted Coupled-Cluster Singles and Doubles”, EMN Meeting on Theory, İstanbul, Kasım 2015 (Davetli Konuşmacı).
  3. Bozkaya, U., "Analytic Energy Gradients for Coupled-Cluster Methods with the Density-Fitting Approximation", EMN Meeting on Computation and Theory, Dubai, UAE, Kasım 2017 (Davetli Konuşmacı).
  4. Bozkaya, U."Efficient Implementations of Analytic Gradients and Related Molecular properties for High-Level Density-Fitted Coupled-Cluster Methods", 4th COST MOLIM General Meeting, Bologna, İtalya, Mart 2019 (Davetli Konuşmacı).
  5. Bozkaya, U."Linear Scaling Coupled Cluster Methods with Molecular Fragmentation Approaches", Warsaw Molecular Electronic Structure Virtual Vonference, Warsaw, Polonya, Eylül 2020 (Davetli Konuşmacı). 
  6. Bozkaya, U."Linear Scaling Coupled-Cluster Methods", PsiCon2020, online (çevrimiçi), Aralık 2020 (Davetli Konuşmacı). 
  7. Bozkaya, U., "Linear Scaling Coupled-Cluster Methods with Various Fragmentation Approaches", 25th International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCP 2022), Toruń, Polonya, Haziran 2022.
  8. Bozkaya, T.,  Ünal, A., Bozkaya, U., "Assessment of the Density-Fitted Equation-of-Motion Coupled-Cluster Singles and Doubles Method for Excitation Energies", 25th International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCP 2022), Toruń, Polonya, Haziran 2022.
  9. Bozkaya, U., "A Combined Cluster-in-Molecules and Systematic Molecular Fragmentation Approach for Electronic Structure Theories", Achievements and Challenges of Multiscale Modelling of Nanocrystals for Efficient Water Splitting (NANOWS 2022), University of Aveiro, Portekiz, Temmuz 2022.
  10. Bozkaya, U., "Linear-Scaling Systematic Molecular Fragmentation Molecular Fragmentation Approach for High-Level Coupled-Cluster Methods: Applications to Protein-Ligand Interactions", 8. International BAU-Drug Design Congress, Bahçeşehir Üniversitesi, Aralık 2022.
  11. Bozkaya, U., "Molecular Fragmentation Approaches for Electron Correlation Methods", Designing the Future: Electro-, Photo-, and Thermochemical water splitting (COST 2023), Brüksel, Belçika, Şubat 2023.
  12. Bozkaya, U., "Linear-Scaling Systematic Molecular Fragmentation Approach", New Methods for the Description of Non-Covalent Interactions, COST Çalışma Grubu Toplantısı, Çevrimiçi, Mayıs 2023 (Davetli Konuşmacı).
  13. Bozkaya, U., "Linear Scaling Coupled-Cluster Methods with Molecular Fragmentation Approaches", International Conference on Development of Nanocrystal Materials Through Computational Modelling, COST 18234-Çalışma Grubu Toplantısı, Haifa, İsrail, Temmuz 2023 (Davetli Konuşmacı).


ULUSAL KONGRELER

  1. Bozkaya, U.; Turney, J. M.; Yamaguchi, Y.; Schaefer, H. F.; Sherrill, C. D., “Quadratically-Convergent Orbital-Optimized Coupled-Cluster Doubles Method (QC-OD) and Orbital-Optimized Second-Order Møller-Plesset Perturbation Theory [QC-OM2]”, PPS12 pp., XV. Ulusal Kimya Kongresi, Erzurum, Haziran 2011.
  2. Önder, M.; Alp, N.; Akbayrak, S.; Biçer, A.; Gültekin, M. S.; Özkar, S.; Bozkaya, U., “Dihydroxylation of Olefins Catalyzed by Zeolite-Confined Osmium (0) Nanoclusters: An Efficient, Reusable and Eco-Friendly Method for the Preparation of 1,2-cis-Diols”, 2012.
  3. Bozkaya, U., “Orbital-Optimized Second-Order Perturbation Theory with Density-Fitting and Cholesky Decomposition Approximations”, I. Hesaplamalı Kimya Kongresi, Van, Mayıs 2014.
  4. Bozkaya, U., “Analytic Energy Gradients for the Orbital-Optimized Second-Order Perturbation Theory with the Density-Fitting Approximation”, IV. Fiziksel Kimya Kongresi, Denizli, Haziran 2014.
  5. Soydaş, E.; Bozkaya, U., “Applications of Density-Fitted Orbital-Optimized Perturbation Theory to Noncovalent Interactions”, I. Hesaplamalı Kimya Kongresi, Van, Mayıs 2014.
  6. Soydaş, E.; Bozkaya, U., “Structure and Energetics of Water Clusters with High-Level Ab Initio Methods”, IV. Fiziksel Kimya Kongresi, Denizli, Haziran 2014.
  7. Bozkaya, U., “Efficient Implementations of Post Hartree-Fock Methods with Density Fitting and Cholesky Decomposition Approximations”, Moleküler Elektronik Yapı Çalıştayı, Amasya, Eylül 2014.
  8. Bozkaya, U., “Development and Efficient Implementations of Electron Correlation Methods with Density-Fitting and Cholesky Decomposition Approximations”, XI. Kimyasal Fizik Kongresi, İstanbul, Ekim 2014.
  9. Bozkaya, U., “Density-Fitted Coupled Cluster Methods”. V. Fiziksel Kimya Kongresi, Konya, Mayıs 2015.
  10. Bozkaya, U., “Analytic Gradients for The CCSD Method with Density-Fitting”, 2. Hesaplamalı Kimya Kongresi, Kars, Haziran 2015 (Davetli Konuşmacı).
  11. Bozkaya, U., “An Overview of Electronic Structure Methods”, 2. Hesaplamalı Kimya Kongresi, Kars, Haziran 2015 (Davetli Konuşmacı).
  12. Soydaş, E.; Bozkaya, U., “Applications of Orbital-Optimized MP2.5 to Thermochemistry and Kinetics”, 2. Hesaplamalı Kimya Kongresi, Kars, Haziran 2015.
  13. Yıldız, D.Bozkaya, U., “Investigation of Cation-Pi Interactions with High-Level Ab Initio Methods”, 2. Hesaplamalı Kimya Kongresi, Kars, Haziran 2015.
  14. Bozkaya, U., "Coupled-Cluster Yöntemlerinin Enerji ve Analitik Gradientlerinin Geliştirilmesi ve Etkin Programlanması", TÜBA-GEBİP Yıllık Toplantısı, Kastamonu, Ekim 2016 (Davetli Konuşmacı).
  15. Bozkaya, U., "Analytic Energy Gradients for Coupled-Cluster Methods with the Density- Fitting Approximations", Department of Chemistry, Bilkent Üniversitesi, Ankara, Şubat 2017 (Davetli Konuşmacı).
  16. Bozkaya, U., "Yoğunluk Fit Edilmiş Coupled-Cluster Yöntemlerinin Analitik Gradiyentlerinin Geliştirilmesi ve Etkin Programlanması", 6. Fiziksel Kimya Kongresi, Zonguldak, Mayıs 2017.
  17. Ünal, A.; Bozkaya, U., "Anyonik Su Kümelerinin Denge Geometrilerinin, Bağlanma ve Dikey Elektron Koparılma Enerjilerinin Kuantum Kimyasal Yöntemlerle Yüksek Doğrulukta Hesaplanması", 6. Fiziksel Kimya Kongresi, Zonguldak, Mayıs 2017.