2

Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11
One of the serious challenges in all solid-state Li ion batteries is neutral Li intrusion into the solid-state electrolyte that can …
Samet Demir, Adem Tekin, Yu-Te Chan, Christoph Scheurer, Karsten Reuter, Alan Luntz, Johannes Voss
PDF Cite DOI
Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11
Hydrogen Storage in Trimetallic Borohydrides: a Crystal Structure Prediction and Ab Initio Molecular Dynamics Simulations Study
Trimetallic borohydrides have emerged as promising candidates for hydrogen storage due to their unique structural and chemical …
Samet Demir, Mostafa Torkashvand, Shirzad Jouybar, Zahra Nikfarjam, Farshid Zargari, Saeedeh Sarabadani Tafreshi, Adem Tekin
PDF Cite DOI
Hydrogen Storage in Trimetallic Borohydrides: a Crystal Structure Prediction and Ab Initio Molecular Dynamics Simulations Study
Stable and metastable crystal structures and ammonia dynamics in strontium chloride ammines
Metal halide ammines are promising ammonia storage materials due to their high ammonia densities and suitable decomposition properties. …
Samet Demir, Gozde Inis Demir, Mehmet Cankaya, Adem Tekin
PDF Cite DOI
Stable and metastable crystal structures and ammonia dynamics in strontium chloride ammines
2D-FFCASP—A New Approach for 2D Structure Prediction Applied to Self-Assemblies of DNA Bases
Biomolecular self-assembly on surfaces is an emerging and exciting field for the fabrication of 2D nanostructures that are being used …
Gozde Inis Demir, Samet Demir, Adem Tekin
PDF Cite DOI
2D-FFCASP—A New Approach for 2D Structure Prediction Applied to Self-Assemblies of DNA Bases
FFCASP: A Massively Parallel Crystal Structure Prediction Algorithm
A new algorithm called Fast and Flexible CrystAl Structure Predictor (FFCASP) was developed to predict the structure of covalent and …
Samet Demir, Adem Tekin
PDF Cite DOI
FFCASP: A Massively Parallel Crystal Structure Prediction Algorithm