2 papers
quant-ph2026
Sample-based quantum diagonalization approach for open-shell transition-metal complexes in gas and implicit-solvent
David David, Vedangi Pathak, Marek Kowalik +5
Open-shell transition-metal complexes challenge electronic-structure methods because competing spin states, charge transfer, and solvation jointly determine their energetics.…
quant-ph2025
Efficient Hamiltonian Simulation: A Utility Scale Perspective for Covalent Inhibitor Reactivity Prediction
Marek Kowalik, Sam Genway, Vedangi Pathak +8
Quantum computing applications in the noisy intermediate-scale quantum (NISQ) era require algorithms that can generate shallower circuits feasible for today's quantum systems. This…