Graded polycrystalline graphene as Thermal Diodes
Atomistic modeling, non-equilibrium heat transfer simulations and phonon calculations reveal Competitive interplay between two thermal rectification mechanisms 
Research
My current research thrust lies in using materials characterization results to model & perform multi-scale simulations in order to understand the mechanisms and provide accurate simulations of the response of novel devices from ground up - with the objective to guide experimentalists in design & process optmization towards novel device applications in a new computing paradigm based on oscillatory neural networks. The following snapshot illustrates an overview of my latest work:
I have highlighted some of my previous work below.
Anisotropic Failure Criteria
Anisotropic failure models were developed using new framework useful for accurate error estimation versus test data 
Distortion-induced Strengthening and Toughening
Simultaneous strengthening and toughening in hBN was discovered using atomistic modeling and TEM characterization 
Electron energy loss spectrum analysis
Relativistic scattering based quantitative EELS data analysis technique for tilt prediction in hBN 