123 citations · 127 across the 6 of their papers we have counts for
6 papers
Quantum Algorithm for Estimating Gibbs Free Energy and Entropy via Energy Derivatives
Shangjie Guo, Corneliu Buda, Nathan Wiebe
Estimating vibrational entropy is a significant challenge in thermodynamics and statistical mechanics due to its reliance on quantum mechanical properties. This paper introduces a…
Assessing Finite Scalability in Early Fault-Tolerant Quantum Computing for Homogeneous Catalysts
Yanbing Zhou, Athena Caesura, Corneliu Buda +3
As quantum hardware advances toward fault-tolerant operation, an intermediate stage known as early fault-tolerant quantum computing (EFTQC) is emerging, where partial error correct…
Experimental demonstration of Robust Amplitude Estimation on near-term quantum devices for chemistry applications
Alexander Kunitsa, Nicole Bellonzi, Shangjie Guo +4
This study explores hardware implementation of Robust Amplitude Estimation (RAE) on IBM quantum devices, demonstrating its application in quantum chemistry for one- and two-qubit H…
A dual-cutoff machine-learned potential for condensed organic systems obtained via uncertainty-guided active learning
Leonid Kahle, Benoit Minisini, Tai Bui +4
Machine-learned potentials (MLPs) trained on ab initio data combine the computational efficiency of classical interatomic potentials with the accuracy and generality of the first-p…
Reducing the cost of energy estimation in the variational quantum eigensolver algorithm with robust amplitude estimation
Peter D. Johnson, Alexander A. Kunitsa, Jérôme F. Gonthier +5
Quantum chemistry and materials is one of the most promising applications of quantum computing. Yet much work is still to be done in matching industry-relevant problems in these ar…
Measurements as a roadblock to near-term practical quantum advantage in chemistry: resource analysis
Jérôme F. Gonthier, Maxwell D. Radin, Corneliu Buda +3
Recent advances in quantum computing devices have brought attention to hybrid quantum-classical algorithms like the Variational Quantum Eigensolver (VQE) as a potential route to pr…