PsiQuantum and Boehringer Ingelheim: Fault-tolerant quantum computation of molecular observables

Over the past three decades significant reductions have been made to the cost of estimating ground-state energies of molecular Hamiltonians with quantum computers. However, comparatively little attention has been paid to estimating the expectation values of other observables with respect to said ground states, which is important for many industrial applications.

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Technical Papers, Chemicals Alex Mack Technical Papers, Chemicals Alex Mack

A Jordan-Wigner gadget that reduces T count by more than 6x for quantum chemistry applications

Quantum computers have the potential to be a profoundly transformative technology, particularly in the context of quantum chemistry. However, running a chemistry application that is demonstrably useful currently requires a prohibitive number of logical operations.

Author: Sam Pallister - Published: Apr 10, 2020

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Technical Papers, Chemicals, Energy Alex Mack Technical Papers, Chemicals, Energy Alex Mack

Fault-tolerant resource estimate for quantum chemical simulations: Case study on Li-ion battery electrolyte molecules (arXiv.org)

In this article, we estimate the cost of simulating electrolyte molecules in Li-ion batteries on a fault-tolerant quantum computer, focusing on the molecules that can provide practical solutions to industrially relevant problems.

Author: Kim et al. - Published: Apr 21, 2021
All authors: Isaac H. Kim, Eunseok Lee, Ye-Hua Liu, Sam Pallister, William Pol, Sam Roberts

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