Samet Demir

Samet Demir
Istanbul Technical University · Department of Informatics

About

8
Publications
203
Reads
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20
Citations
Citations since 2016
5 Research Items
20 Citations
201620172018201920202021202202468
201620172018201920202021202202468
201620172018201920202021202202468
201620172018201920202021202202468

Publications

Publications (8)
Article
Biomolecular self‐assembly on surfaces is an emerging and exciting field for the fabrication of 2D nanostructures that are being used in a wide range of applications. Self‐assembly of the nucleic acid bases, which are mostly stabilized by hydrogen bonding, in both solution and solid have been well characterized by various experimental techniques su...
Article
A new algorithm called Fast and Flexible CrystAl Structure Predictor (FFCASP) was developed to predict the structure of covalent and molecular crystals. FFCASP is massively parallel and able to handle more than 200 atoms in the unit cell (in other terms, it allows global optimization around 100 individual parameters). It uses a global optimizer spe...
Article
There is a lack of consensus on the crystal structure and polymorphism of Cu(I)-TCNQ, even though an enormous work and great achievements have been reported along decades. This motivated us to perform a crystal structure prediction study (by using FFCASP) combined with total energy calculations at DFT-D level. The ensemble of the optimized structur...
Chapter
World’s growing energy need is mostly reliant upon fossil fuels. Fossil fuels are considered to be non-renewable energy sources because it needs million years to form and reserves are being depleted much more faster than new reserves are being made. Usage of fossil fuels comes with harmful consequences. It is responsible for 20 % of global warming...
Chapter
Hydrogen is one of the promising alternatives for the replacement of fossil-fuels. One of the major bottlenecks preventing its widespread commercialization for on-board applications is to find the most suitable storage medium. Metal borohydrides are one of the classes of solid materials studied intensively to store hydrogen due to their high theore...

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