Publications

Samet Demir, Adem Tekin, Yu-Te Chan, Christoph Scheurer, Karsten Reuter, Alan Luntz, Johannes Voss (2024). Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11. ACS Applied Energy Materials.

Samet Demir, Mostafa Torkashvand, Shirzad Jouybar, Zahra Nikfarjam, Farshid Zargari, Saeedeh Sarabadani Tafreshi, Adem Tekin (2023). Hydrogen Storage in Trimetallic Borohydrides: a Crystal Structure Prediction and Ab Initio Molecular Dynamics Simulations Study. J. Phys. Chem. C.

Samet Demir, Gozde Inis Demir, Mehmet Cankaya, Adem Tekin (2023). Stable and metastable crystal structures and ammonia dynamics in strontium chloride ammines. Physical Chemistry Chemical Physics.

Gozde Inis Demir, Samet Demir, Adem Tekin (2022). 2D-FFCASP—A New Approach for 2D Structure Prediction Applied to Self-Assemblies of DNA Bases. Advanced Theory and Simulations.

Samet Demir, Adem Tekin (2021). FFCASP: A Massively Parallel Crystal Structure Prediction Algorithm. JCTC.