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Yayın An ab initio and DFT study of structure and conformers of glycerol(Maltepe Üniversitesi, 2021) Yousefpour Navini, Nasim; Shojaei, S.H. Reza; Uyaver, SahinIn this paper, the effect of the simultaneous rotation of two different groups, hydroxyl (OH) and hydroxymethyl (CH2OH) groups, on the basic properties of Glycerol are comprehensively studied. Relative energies are reported at the HF/ aug-cc-pVDZ, b3lyp/ aug-cc-pVDZ levels with corrections for zero-point vibrational energies. Structural parameters, Electric Dipole Moment and HOMO-LUMO energy gap of the identified conformers are also tabled. An inverse correlation between the relative energy and HOMO-LUMO energy gap is seen.Yayın Facial expression recognition using deep learning(Maltepe Üniversitesi, 2021) Shehu, Harisu Abdullahi; Sharif, Md. Haidar; Uyaver, Sahint. Facial expression recognition has become an increasingly important area of research in recent years. Neural networkbased methods have made amazing progress in performing recognition-based tasks, winning competitions set up by various data science communities, and achieving high performance on many datasets. Miscellaneous regularization methods have been utilized by various researchers to help combat over-fitting, to reduce training time, and to generalize their models. In this paper, by applying the Haar Cascade classifier to crop faces and focus on the region of interest, we hypothesize that we would attain a fast convergence without using the whole image to analyze facial expressions. We also apply label smoothing and analyze its effect on the databases of CK+, KDEF, and RAF. The ResNet model has been employed as an example of a neural network model. Label smoothing has demonstrated an improvement of the recognition accuracy up to 0.5% considering CK+ and the KDEF databases. While the application of Haar Cascade has shown to decrease the achieved accuracy on KDEF and RAF databases with a small margin, fast convergence of the model has been observed.Yayın Shape measurement for cylindirical structures formed by tyrosine molecules(Maltepe Üniversitesi, 2019) Habiboglu, M. Gokhan; Uyaver, SahinTyrosine is one of the important aromatic amino acids, the wrong metabolization of which usually results in severe mental diseases. Based on the simulation results it was observed that tyrosine molecules form fibril-like structures at high temperatures. In order to have a better understanding of tyrosine self-assembly, we developed a quantitative measure to analyze fibril-like shapes formed by tyrosine molecules. This was applied to 4 different temperatures and then was compared with the analysis from simulation data. As expected, tyrosine molecules indeed exhibit fibril-like structures at 350 K at a fast rate, which is perfectly in agreement with the analysis in literature