1.6k citations · 3.3k across the 14 of their papers we have counts for
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Digital quantum simulation of molecular vibrations
Sam McArdle, Alex Mayorov, Xiao Shan +2
Molecular vibrations underpin important phenomena such as spectral properties, energy transfer, and molecular bonding. However, obtaining a detailed understanding of the vibrationa…
Quantum computational chemistry
Sam McArdle, Suguru Endo, Alan Aspuru-Guzik +2
One of the most promising suggested applications of quantum computing is solving classically intractable chemistry problems. This may help to answer unresolved questions about phen…
Variational quantum algorithms for discovering Hamiltonian spectra
Suguru Endo, Tyson Jones, Sam McArdle +2
Calculating the energy spectrum of a quantum system is an important task, for example to analyse reaction rates in drug discovery and catalysis. There has been significant progress…
Error-mitigated digital quantum simulation
Sam McArdle, Xiao Yuan, Simon Benjamin
Variational algorithms may enable classically intractable simulations on near-future quantum computers. However, their potential is limited by hardware errors. It is therefore cruc…
Variational ansatz-based quantum simulation of imaginary time evolution
Sam McArdle, Tyson Jones, Suguru Endo +3
Imaginary time evolution is a powerful tool for studying quantum systems. While it is possible to simulate with a classical computer, the time and memory requirements generally sca…