699 citations · 1k across the 35 of their papers we have counts for
37 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…
Quantum Flow algorithm: quantum simulations of chemical systems using reduced quantum resources and constant depth quantum circuits
Bhumika Jayee, Nathan M. Myers, Duo Song +3
We assess the performance of the Quantum Flow (QFlow) algorithm employing cost-effective solvers based on the unitary coupled-cluster ansatz with single and double excitations (QFl…
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…
Integrated Software/Hardware Execution Models for High-Accuracy Methods in Chemistry
Nicholas Bauman, Ajay Panyala, Libor Veis +7
The effective deployment and application of advanced methodologies for quantum chemistry is inherently linked to the optimal usage of emerging and highly diversified computational…
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…
Density Matrix Renormalization Group Approach Based on the Coupled-Cluster Downfolded Hamiltonians
Nicholas Bauman, Libor Veis, Karol Kowalski +1
The Density Matrix Renormalization Group (DMRG) method has become a prominent tool for simulating strongly correlated electronic systems characterized by dominant static correlatio…
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,…
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…
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.…
Excited-State Downfolding Using Ground-State Formalisms
Nicholas P. Bauman
Downfolding coupled cluster (CC) techniques are powerful tools for reducing the dimensionality of many-body quantum problems. This work investigates how ground-state downfolding fo…
Impact of high-rank excitations on accuracy of the unitary coupled cluster downfolding formalism
Karol Kowalski, Bo Peng, Nicholas P. Bauman
In this paper, we evaluate the accuracy of the Hermitian form of the downfolding procedure utilizing the double unitary coupled cluster Ansatz (DUCC) on the H6 and H8 benchmark sys…
Quantum flow algorithms for simulating many-body systems on quantum computers
Karol Kowalski, Nicholas P. Bauman
We conducted quantum simulations of strongly correlated systems using the quantum flow (QFlow) approach, which enables sampling large sub-spaces of the Hilbert space through couple…
Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems
Nicholas P. Bauman, Bo Peng, Karol Kowalski
In this manuscript, we provide an overview of the recent developments of the coupled cluster (CC) downfolding methods, where the ground-state problem of a quantum system is represe…
Real-time Equation-of-Motion Coupled-Cluster Cumulant Green's Function Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for Many-body Methods Infrastructure
Himadri Pathak, Ajay Panyala, Bo Peng +5
We report the implementation of the real-time equation-of-motion coupled-cluster (RT-EOM-CC) cumulant Green's function method [J. Chem. Phys. 152, 174113 (2020)] within the Tensor…
Fock-space Schrieffer--Wolff transformation: classically-assisted rank-reduced quantum phase estimation algorithm
Karol Kowalski, Nicholas P. Bauman
We present an extension of many-body downfolding methods to reduce the resources required in the quantum phase estimation (QPE) algorithm. In this paper, we focus on the Schrieffer…
Periodic Plane-Wave Electronic Structure Calculations on Quantum Computers
Duo Song, Nicholas P. Bauman, Guen Prawiroatmodjo +7
A procedure for defining virtual spaces, and the periodic one-electron and two-electron integrals, for plane-wave second quantized Hamiltonians has been developed and demonstrated…
Optimized Quantum Phase Estimation for Simulating Electronic States in Various Energy Regimes
Christopher Kang, Nicholas P. Bauman, Sriram Krishnamoorthy +1
While quantum algorithms for simulation exhibit better asymptotic scaling than their classical counterparts, they currently cannot be implemented on real-world devices. Instead, ch…
Real-time equation-of-motion CC cumulant and CC Green's function simulations of photoemission spectra of water and water dimer
Fernando D. Vila, John J. Rehr, Himadri Pathak +5
Newly developed coupled-cluster (CC) methods enable simulations of ionization potentials and spectral functions of molecular systems in a wide range of energy scales ranging from c…