Raj Kumar Paudel
Postdoctoral Research Fellow
Research Center for Applied Sciences, Academia Sinica
About Me
I am currently a Postdoctoral Research Fellow at the Research Center for Applied Sciences, Academia Sinica. My work focuses on quantum mechanics-based computational techniques, particularly density functional theory (DFT) and the semi-empirical pseudopotential method (SEPM). I apply these methods to investigate the electronic and optical properties of emerging quantum materials.I earned my Ph.D. in Physics via the Taiwan International Graduate Program (TIGP) at Academia Sinica, in collaboration with National Central University.
Under the supervision of Prof. Yia-Chung Chang, I studied novel computational approaches to explore the electronic structure of two-dimensional (2D) materials using the Semi-Empirical Pseudopotential Method. My current work focuses on developing advanced computational frameworks to understand and predict material properties at quantum scales, with particular emphasis on exciton physics in 2D systems and nanostructured materials.
Research Focus
My research focuses on developing and applying computational methods to understand electronic and optical properties of quantum materials. Key areas include:
Method Development
- Semi-Empirical Pseudopotential Method (SEPM)
- DFT method with planar basis set
- Exciton on two dimensional system
Material Systems
- 2D materials (TMDCs, graphene)
- Fullerenes (Cāā and derivatives)
- Graphene nanoribbons
Current Projects
Exciton Dynamics in 2D Materials
Developing theoretical frameworks and employing advanced many-body approaches to model exciton binding energies, their dynamics, and optical properties in monolayer and bilayer Transition Metal Dichalcogenides (TMDCs). This includes investigating phenomena like 2P interlayer excitons and electric-field-driven brightening of interlayer excitons.
SEPM Development and Application for Layered TMDCs
Further developing and applying the Semi-Empirical Pseudopotential Method (SEPM) for accurate and efficient calculation of electronic band structures of various monolayer and few-layer TMDCs. This provides a foundation for understanding their intrinsic properties and for subsequent many-body calculations (e.g., for excitons).
Electronic Structure of Fullerene (C60) Systems
Investigating the electronic structure, charge transfer mechanisms, and optical properties of C60 fullerene molecular assemblies and their solid-state configurations using Density Functional Theory (DFT) and exploring the application of SEPM for larger fullerene-based systems.