Dr. Batjargal is an assistant research fellow at the Center of Atomic Initiative for New Materials (AI-Mat) & the Center of Condensed Matter Sciences (CCMS), National Taiwan University. His expertise is in computational condensed matter physics. His laboratory primarily conducts quantum first-principles calculations on semiconductors, 2D materials, metal-organic frameworks (MOFs), and computational photo(electro)catalysis. 

His research group is dedicated to advancing the frontiers of advanced materials research through cutting-edge first-principles simulations. By combining physics, chemistry, and computational science, they aim to design and understand materials that drive innovation in electronics, energy, and catalysis.
The mission is to bridge fundamental theory toward experiment. 
❖ Develop predictive models for novel materials.
❖ Explore quantum phenomena in low-dimensional systems.
❖ Accelerate the discovery of sustainable energy solutions through computational design.
❖ Train the next generation of scientists in advanced computational methods.

Research Focus:
❖ Semiconductors – Band gap engineering and electronic properties for future optoelectronic devices.
❖ Two-Dimensional Materials – physical properties of low-dimensional systems such as TMDs, MXenes, and MOFs.
❖ Metal-Organic Frameworks (MOFs) – opto-electronic properties of MOF-based materials.
❖ Photo(electro)catalysis - advancing the catalytic properties of various materials.