| Computational screening of dual-cation metal ammine borohydrides by density functional theory A Emdadi, S Demir, Y Kışlak, A Tekin The Journal of Physical Chemistry C 120 (25), 13340-13350, 2016 | 11 | 2016 |
| Ffcasp: A massively parallel crystal structure prediction algorithm S Demir, A Tekin Journal of Chemical Theory and Computation 17 (4), 2586-2598, 2021 | 10 | 2021 |
| First-principles crystal structure prediction of Cu (I)-TCNQ polymorphs R Caputo, S Demir, A Tekin The Journal of Physical Chemistry C 124 (1), 70-82, 2019 | 10 | 2019 |
| Crystal Structure Prediction and Dehydrogenation Mechanism of LiMg(BH4)3(NH3)2 G İniş Demir, R Caputo, S Demir, A Tekin The Journal of Physical Chemistry C 125 (19), 10235-10242, 2021 | 4 | 2021 |
| 2D‐FFCASP—A New Approach for 2D Structure Prediction Applied to Self‐Assemblies of DNA Bases Gİ Demir, S Demir, A Tekin Advanced Theory and Simulations 5 (10), 2200308, 2022 | 2 | 2022 |
| Stable and metastable crystal structures and ammonia dynamics in strontium chloride ammines S Demir, Gİ Demir, M Çankaya, A Tekin Physical Chemistry Chemical Physics 25 (41), 28282-28295, 2023 | 1 | 2023 |
| Computational Screening of Dual Cation Metal Ammine Borohydrides A Emdadi, Y Kışlak, S Demir, A Tekin 2nd International Congress on Energy Efficiency and Energy Related Materials …, 2015 | 1 | 2015 |
| Factors Affecting the Electron Conductivity in Single Crystal Li7La3Zr2O12 and Li7P3S11 S Demir, A Tekin, YT Chan, C Scheurer, K Reuter, AC Luntz, J Voss ACS Applied Energy Materials 7 (6), 2392-2404, 2024 | | 2024 |
| Hydrogen Storage in Trimetallic Borohydrides: a Crystal Structure Prediction and Ab Initio Molecular Dynamics Simulations Study S Demir, M Torkashvand, S Jouybar, Z Nikfarjam, F Zargari, SS Tafreshi, ... The Journal of Physical Chemistry C 127 (39), 19344-19355, 2023 | | 2023 |
| Crystal Structure Prediction and Dehydrogenation Mechanism of LiMg (BH₄) ₃ (NH₃) ₂ G İniş Demir, R Caputo, S Demir, A Tekin | | 2021 |
| Computational Discovery of new Dual Cation Metal Ammine Borohydrides S Demir, A Tekin Materials and Technologies for Energy Efficiency, 115, 2015 | | 2015 |
| Discovery of New Dual Cation Metal Ammine Borohydrides: A Computational Study S Demir, A Tekin 2nd International Congress on Energy Efficiency and Energy Related Materials …, 2015 | | 2015 |
| Discovery of new dual cation ammine borohydrides: A computational screening study S Demir Bilişim Enstitüsü, 0 | | |
| Machine learning assisted massively parallel crystal structure prediction S Demir Graduate School, 0 | | |
Adem TekinIstanbul Technical UniversityVerified email at itu.edu.tr
