Publications

• Giant energy storage and dielectric performance in all-polymer nanocomposites , Nature (2026)
• pyRMG: A framework for high-throughput, large-cell DFT calculations on supercomputers , The Journal of Chemical Physics (2026)
• Origin of large variations of current on/off ratio and switching voltage in atomically thin memristors: an exascale ab initio transport study , npj 2D Materials and Applications (2025)
• Simulation of 24,000 Electron Dynamics: Real-Time Time-Dependent Density Functional Theory (TDDFT) with the Real-Space Multigrids (RMG) , Journal of Chemical Theory and Computation (2025)
• Strain‐Induced Polar Interfaces in Ferroelectric Polymer Nanocomposites , Advanced Functional Materials (2025)
• Strain‐Induced Polar Interfaces in Ferroelectric Polymer Nanocomposites (Adv. Funct. Mater. 35/2025) , Advanced Functional Materials (2025)
• Adaptive finite differencing in high accuracy electronic structure calculations , npj Computational Materials (2024)
• Deposition temperature-mediated growth of helically shaped polymers and chevron-type graphene nanoribbons from a fluorinated precursor , Communications Chemistry (2024)
• High-temperature semicrystalline/amorphous polymer blends exhibiting enhanced dielectric constant with high breakdown strength , Nano Energy (2024)
• Electro-thermal actuation in percolative ferroelectric polymer nanocomposites , Nature Materials (2023)