Research
Research conducted by TSLab is aimed at developing and applying advanced computational and data-driven approaches to accelerate scientific discovery and support evidence-based decision making in molecular and materials science. Our research enables the efficient exploration, modeling, and evaluation of complex molecular systems for applications in health, materials, and emerging technologies.
TSLab’s research and development activities focus on the development of computational tools and the application of these methods to expand knowledge in the following areas:
TSLab’s research and development activities focus on the development of computational tools and the application of these methods to expand knowledge in the following areas:
- Molecular modeling and simulation at electronic, atomic, and mesoscopic scales
- Structure–activity and structure–property relationship analysis (QSAR/QSPR)
- Computational drug discovery, including virtual screening, docking, and molecular dynamics simulations
- Prediction of physicochemical properties, stability, and reactivity of molecular systems
- Integration of artificial intelligence and machine learning for data-driven modeling and prediction
- Mechanistic understanding of molecular interactions and their impact on biological and material performance
Contact
Jl. Tamalate 3 no. 136 Makassaar
thl.sc.lab@gmail.com
+6282333331270