Computational Materials Science

Density functional theory, device simulation and other modelling of materials.

Articles (3)

Research Article

Design and Optimization of CsPbI3 Perovskite Solar Cells Using SCAPS-1D

Muhamad Kevin Ristiansyah, Bayu Prasetya, Mochammad Ghulam Isaq Khan, Muhammad Yasin Siregar, Abyan Abdillah Saoloan Panjaitan, Eri Widianto, Eka Nurfani

May 11, 2026 10.62755/gsm.2026.04
Research Article

Assessing k-Point Mesh Density for Accurate DFT Modeling (1x1) unit cell of Graphene

Ega Abdillah Ghaniya, Daffa Hadyan Akmal, Muhammad Dzaki Adlil Zulbadri, Septia Eka Marsha Putra

Jul 1, 2025 10.62755/greensusmater.2025.2.1.17-20
Research Article

Adsorption and Diffusion Energies Calculation of Sodium Ion Battery using GeTe Anode: A Density Functional Theory Study

Fathan Akbar Nur Habibi, Daniel Hasiholan Simatupang, Amrina Mustaqim, Septia Eka Marsha Putra

Dec 1, 2024 10.62755/greensusmater.2024.1.2.57-62