11 papers
Quantum Information Harvesting with the Parallel Quantum Flow Algorithm
Nicholas P. Bauman, Ajay Panyala, Chenxu Liu +3
The Quantum Flow (QFlow) algorithm provides a resource-efficient framework for describing correlated many-body systems on hybrid quantum-classical architectures. By enabling parall…
Compile-once block encodings for masked similarity-transformed effective Hamiltonians
Bo Peng, Yuan Liu, Karol Kowalski
We present COMPOSER, a compile-once modular parametric oracle for similarity-encoded effective reduction of electronic-structure operators (e.g., Schrieffer-Wolff-type construction…
Single-reference coupled-cluster theory based on the multi-purpose cluster operator
Karol Kowalski, Nicholas P. Bauman
In this paper, we develop a theoretical framework that extends single-reference (SR) coupled-cluster (CC) theory beyond its conventional role of describing a single electronic stat…
A Perspective on Quantum Computing Applications in Quantum Chemistry using 25--100 Logical Qubits
Yuri Alexeev, Victor S. Batista, Nicholas Bauman +27
The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owin…
Coupled Cluster Downfolding Theory in Simulations of Chemical Systems on Quantum Hardware
Nicholas P. Bauman, Muqing Zheng, Chenxu Liu +5
The practical application of quantum technologies to chemical problems faces significant challenges, particularly in the treatment of realistic basis sets and the accurate inclusio…
Qubit-efficient quantum chemistry with the ADAPT variational quantum eigensolver and double unitary downfolding
Harjeet Singh, Luke W. Bertels, Daniel Claudino +5
In this work, we combine the recently developed double unitary coupled cluster (DUCC) theory with the adaptive, problem-tailored variational quantum eigensolver (ADAPT-VQE) to expl…