Home - Dil Limbu

Hello! I am Dil Limbu.
Dedicated and accomplished Post-Doctoral Fellow with a Ph.D. in Computational Science and a focus on computational materials theory. Proven expertise in materials modeling, density functional theory, and parallel computing. Skilled in non-adiabatic dynamics and software development for advanced simulations in materials science.
✉️ dil.k.limbu@njit.edu

Curriculum Vitae

Background

University of Missouri - Kansas City

Postdoctoral Fellow
(2023 - 2025)

New Jersey Institute of Technology

Postdoctoral Research Associate
(2021 - 2023)
(2025 - Present)

The University of Southern Mississippi

Ph.D. in Computational Science & M.S. in Physics
(2015 - 2021)

SHARP PACK

Non-adiabatic dynamics simulation software package that features modular design, incorporates nuclear quantum effects via Feynman's imaginary time path integral, employs fewest-switches and ring polymer surface hopping dynamics, and includes built-in model Hamiltonians for method development and assessment.

EC-MOFs Database

Investigate 2D bulk and mono-layer crystal structures of Metal-Organic Frameworks (MOFs) and explore their tabulated properties through the dedicated EC-MOFs web interface created for 2D MOFs with the ultimate goal of providing a platform for accelerated material design and discovery.