Quantum Computing Breakthrough: NIST and Indiana University Achieve Record Accuracy in Molecular Calculations
Researchers at NIST and Indiana University have made a significant breakthrough in quantum computing, achieving unprecedented accuracy in molecular calculations. Their work on the ground state of dihydrogen (H2) represents the highest level of accuracy ever reached in molecular quantum computations, surpassing even experimental measurements.
The team, led by James Sims and Stanley Hagstrom, used up to 7,034 expansion terms in confocal elliptical coordinates to calculate Born-Oppenheimer energies for various internuclear distances in H2. Their calculations, performed using quadruple precision floating-point arithmetic, achieved an error of 1 in the 13th digit.
The researchers also parallelized the computation process, achieving a 30-fold speedup on 32 processors. This breakthrough could have significant implications for quantum computing and molecular modeling, potentially leading to more accurate predictions of molecular properties and behaviors.
Keywords: Accuracy, Computational, Precision, Approximations, Hartree
