52 citations · 151 across the 12 of their papers we have counts for
4 papers · 1 filter
Electronic transport in copper-graphene composites
K. N. Subedi, K. Nepal, C. Ugwumadu +2
We investigate the electronic transport properties of copper-graphene composites using a density-functional framework. Conduction in composites by varying the interface distance of…
Atomistic Nature of Amorphous Graphite
C. Ugwumadu, K. Nepal, R. Thapa +1
This paper focuses on the structural, electronic, and vibrational features of amorphous graphite [R. Thapa , Phys. Rev. Lett. 128, 236402 (2022)]. The structure o…
Simulation of multi-shell fullerenes using Machine-Learning Gaussian Approximation Potential
C. Ugwumadu, K. Nepal, R. Thapa +4
Multi-shell fullerenes "buckyonions" were simulated, starting from initially random configurations, using a density-functional-theory (DFT)-trained machine-learning carbon potentia…
Ab initio simulation of amorphous graphite
Rajendra Thapa, Chinonso Ugwumadu, Kishor Nepal +2
A disorder-order transition from amorphous carbon (aC) to layered amorphous graphene (LAG) has been predicted using ab-initio methods. Amorphous carbon at densities close to the gr…