We extend the microscopic self-consistent cooperative hopping theory (SCCHT) of activated ion dynamics in polymerized ionic liquids (PolyILs) and glasses based on a trained polymer physics model to provide an understanding of the effect of cation size on the physical barrier and ion relaxation time as a function of t...
Ankita Das, Kenneth S. Schweizer· Macromolecules· 1 citation
Based on the Generator Coordinate Method (GCM), we use a Quantum GCM (QuGCM) within a hybrid quantum-classical framework to simulate low-lying eigenstates of nuclear systems on quantum devices. The generator basis states are constructed from Hartree-Fock (HF) reference states, excited via symmetry-adapted unitary coupl...
Durgesh Pandey, A. Singh, Ankita Das et al.· 2 citations
By leveraging NISQ hardware connected via the cloud to classical HPC clusters, the Sample-based Quantum Diagonalization (SQD) scheme could outperform conventional supercomputers in memory scaling and total execution time, enabling more rigorous large-scale shell model calculations.
Durgesh Pandey, Ankita Das, P. Arumugam· 0 citations
We combine dielectric and viscoelastic measurements with novel statistical mechanical theories to establish and understand strong decoupling of cation activated dynamics from the polymer segmental relaxation in polymerized ionic liquids. Weakly ion-dependent (Li, Na, K) apparent power laws with fractional exponents b...
Ankita Das, H. Singh, Shi-Nian Cheng et al.· ACS Macro Letters· 0 citations
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