Skala is a neural XC functional trained on wavefunction data that beats state-of-the-art hybrids on main-group chemistry benchmarks at semi-local computational cost.
Cauchy and the gradient method , volume=
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QFlow-SD matches canonical UCCSD energies for tested molecules while using substantially fewer qubits via reduced active spaces and constant-depth circuits, with a composite classical-quantum downfolding strategy demonstrated for water.
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Accurate and scalable exchange-correlation with deep learning
Skala is a neural XC functional trained on wavefunction data that beats state-of-the-art hybrids on main-group chemistry benchmarks at semi-local computational cost.
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Quantum Flow algorithm: quantum simulations of chemical systems using reduced quantum resources and constant depth quantum circuits
QFlow-SD matches canonical UCCSD energies for tested molecules while using substantially fewer qubits via reduced active spaces and constant-depth circuits, with a composite classical-quantum downfolding strategy demonstrated for water.