4 papers
Variance reduction methods in the estimation of Pauli sums
Søren Fuglede Jørgensen, Rafael Emilio Barfknecht, Patrick Ettenhuber +1
Accurately estimating expectation values of quantum observables with as few measurements as possible is crucial to many quantum computing applications. We introduce a framework tha…
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…