News & Views |
Featured
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News & Views |
Chemistry from photons
The use of conventional computers to calculate molecular properties is hindered by the exponential increase in computational cost on increasing the size of the molecules studied. Using quantum computers could be the solution and the initial steps are now being taken.
- Kenneth R. Brown
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News & Views |
Unearthing the unconventional
Quantum tunnelling can at times be the cause of kinetic isotope effects, and in these cases conventional wisdom has been that molecules with isotopes of larger mass will react more slowly. New calculations, however, predict that sometimes the reverse should be true.
- Barry K. Carpenter
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Article |
Towards quantum chemistry on a quantum computer
Precise calculations of molecular properties from first-principles set great problems for large systems because their conventional computational cost increases exponentially with size. Quantum computing offers an alternative, and here the H2 potential energy curve is calculated using the latest photonic quantum computer technology.
- B. P. Lanyon
- , J. D. Whitfield
- & A. G. White