Author

Ajay Panyala

0 works0 citationsORCID

Recent research

  • Materials & EnergyOpen access

    How Accurately Can We Describe Spin Crossover?

    Abstract The complicated physicochemical properties of metal complexes that exhibit thermal spin crossover make it difficult for routine electronic structure calculations to yield an accurate transition temperature prediction, T1/2. The difficulty lies in the intricate connection...

    Journal of Chemical Theory and Computation2026-09-280 citationsDOI
  • AI & ComputingOpen access

    Quantum Information Harvesting with the Parallel Quantum Flow Algorithm

    Abstract The quantum flow (QFlow) algorithm provides a resource-efficient framework for describing correlated many-body systems on hybrid quantum-classical architectures. By enabling the parallel utilization of quantum and classical resources, QFlow offers a scalable pathway towa...

    The Journal of Physical Chemistry Letters2026-09-230 citationsDOI