27 citations · 56 across the 18 of their papers we have counts for
20 papers
Adaptive Dissipative State Preparation through Reinforcement Learning
Nathan M. Myers, Chenxu Liu, Yulong Dong +2
Dissipative algorithms approach the problem of ground state preparation by mimicking the natural thermalization of a quantum system in contact with a large, low-temperature thermal…
Toward Resilient Many-Body Formulations under Incomplete Correlation Models: A Dual-Space Variational Formulation
Vibin Abraham, Bhumika Jayee, Bo Peng +2
Quantum simulations of correlated many-body systems will inevitably operate with imperfect information: the prepared states may arise from incomplete or approximate ansatze, while…
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…
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…
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…
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…
Exploring the Nexus of Many-Body Theories through Neural Network Techniques: the Tangent Model
Senwei Liang, Karol Kowalski, Chao Yang +1
In this paper, we present a physically informed neural network representation of the effective interactions associated with coupled-cluster downfolding models to describe chemical…
Resource-adaptive quantum flow algorithms for quantum simulations of many-body systems: sub-flow embedding procedures
Karol Kowalski, Nicholas P. Bauman
In this study, we utilized the quantum flow (QFlow) method to perform quantum simulations of correlated systems. The QFlow approach allows for sampling large sub-spaces of the Hilb…
Quantum Electrodynamics Coupled-Cluster Theory: Exploring Photon-Induced Electron Correlations
Himadri Pathak, Nicholas P. Bauman, Ajay Panyala +1
We present our successful implementation of the quantum electrodynamics coupled-cluster method with single and double excitations (QED-CCSD) for electronic and bosonic amplitudes,…
GALIC: Hybrid Multi-Qubitwise Pauli Grouping for Quantum Computing Measurement
Matthew X. Burns, Chenxu Liu, Samuel Stein +3
Observable estimation is a core primitive in NISQ-era algorithms targeting quantum chemistry applications. To reduce the state preparation overhead required for accurate estimation…
Effective Many-body Interactions in Reduced-Dimensionality Spaces Through Neural Network Models
Senwei Liang, Karol Kowalski, Chao Yang +1
Accurately describing properties of challenging problems in physical sciences often requires complex mathematical models that are unmanageable to tackle head-on. Therefore, develop…
Exploring the exact limits of the real-time equation-of-motion coupled cluster cumulant Green's functions
Bo Peng, Himadri Pathak, Ajay Panyala +3
In this paper, we analyze the properties of the recently proposed real-time equation-of-motion coupled-cluster (RT-EOM-CC) cumulant Green's function approach [J. Chem. Phys. 2020,…
Capturing many-body correlation effects with quantum and classical computing
Karol Kowalski, Nicholas P. Bauman, Guang Hao Low +3
Theoretical descriptions of excited states of molecular systems in high-energy regimes are crucial for supporting and driving many experimental efforts at light source facilities.…
Picasso: Memory-Efficient Graph Coloring Using Palettes With Applications in Quantum Computing
S M Ferdous, Reece Neff, Bo Peng +6
A coloring of a graph is an assignment of colors to vertices such that no two neighboring vertices have the same color. The need for memory-efficient coloring algorithms is motivat…
Unleashed from Constrained Optimization: Quantum Computing for Quantum Chemistry Employing Generator Coordinate Inspired Method
Muqing Zheng, Bo Peng, Ang Li +2
Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the inte…
Integrating Subsystem Embedding Subalgebras and Coupled Cluster Green's Function: A Theoretical Foundation for Quantum Embedding in Excitation Manifold
Bo Peng, Karol Kowalski
In this study, we introduce a novel approach to coupled-cluster Green's function (CCGF) embedding by seamlessly integrating conventional CCGF theory with the state-of-the-art sub-s…
Improving the accuracy and efficiency of quantum connected moments expansions
Daniel Claudino, Bo Peng, Nicholas P. Bauman +2
The still-maturing noisy intermediate-scale quantum (NISQ) technology faces strict limitations on the algorithms that can be implemented efficiently. In quantum chemistry, the vari…
Coupled Cluster Greens function formulations based on the effective Hamiltonians
Nicholas P Bauman, Bo Peng, Karol Kowalski
We demonstrate that the effective Hamiltonians obtained with the downfolding procedure based on double unitary coupled cluster (DUCC) ansatz can be used in the context of Greens fu…