Machine-learned potentials enable fast quartic force field generation and VPT2 calculations of vibrational energies for 21-atom aspirin, yielding the first quantum anharmonic results for a molecule of this size.
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A quantum algorithm for rovibrational Hamiltonian simulation on fault-tolerant quantum computers using hybrid DVR and Walsh-Hadamard QROM, claiming exponential resource savings over prior quantum and classical methods.
Quantum algorithm finds eigenvalues of parameterized matrix families by minimizing singular values and applies it to Schrödinger equation collocation with O(sqrt(N)) scaling.
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VPT2 Calculations of Vibrational Energies of CH3COOC6H4COOH Done in Seconds on a Laptop Using a Machine Learned Potential
Machine-learned potentials enable fast quartic force field generation and VPT2 calculations of vibrational energies for 21-atom aspirin, yielding the first quantum anharmonic results for a molecule of this size.
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Simulating high-accuracy nuclear motion Hamiltonians using discrete variable representation and Walsh-Hadamard QROM on fault-tolerant quantum computers
A quantum algorithm for rovibrational Hamiltonian simulation on fault-tolerant quantum computers using hybrid DVR and Walsh-Hadamard QROM, claiming exponential resource savings over prior quantum and classical methods.
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Quantum algorithm for solving generalized eigenvalue problems with application to the Schr\"odinger equation
Quantum algorithm finds eigenvalues of parameterized matrix families by minimizing singular values and applies it to Schrödinger equation collocation with O(sqrt(N)) scaling.