4 papers
Fault-tolerant quantum computations of vibrational wave functions
Marco Majland, Rasmus Berg Jensen, Patrick Ettenhuber +3
Quantum computation of vibrational properties of molecules is a promising platform to obtain computational advantages for computational chemistry. However, fault-tolerant quantum c…
Vibrational ADAPT-VQE: Critical points leads to problematic convergence
Marco Majland, Patrick Ettenhuber, Nikolaj Thomas Zinner +1
Quantum chemistry is one of the most promising applications for which quantum computing is expected to have significant impact. Despite considerable research in the field of electr…
Calculating the energy profile of an enzymatic reaction on a quantum computer
Patrick Ettenhuber, Mads Bøttger Hansen, Irfansha Shaik +7
Quantum computing (QC) provides a promising avenue toward enabling quantum chemistry calculations, which are classically impossible due to a computational complexity that increases…
Optimizing the number of measurements for vibrational structure on quantum computers: coordinates and measurement schemes
Marco Majland, Rasmus Berg Jensen, Mads Greisen Højlund +2
One of the primary challenges prohibiting demonstrations of practical quantum advantages for near-term devices amounts to excessive measurement overheads for estimating relevant ph…