699 citations · 829 across the 7 of their papers we have counts for
12 papers
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…
Coupled Cluster Downfolding Theory: towards efficient many-body algorithms for dimensionality reduction of composite quantum systems
Nicholas P. Bauman, Karol Kowalski
The recently introduced coupled cluster (CC) downfolding techniques for reducing the dimensionality of quantum many-body problems recast the CC formalism in the form of the renorma…
Coupled cluster Green's function-Past, Present, and Future
Bo Peng, Nicholas P. Bauman, Sahil Gulania +1
Coupled cluster Green's function (CCGF) approach has drawn much attention in recent years for targeting the molecular and material electronic structure problems from a many-body pe…
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…
Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations
Eric J. Bylaska, Duo Song, Nicholas P. Bauman +3
For many-body methods such as MCSCF and CASSCF, in which the number of one-electron orbitals are optimized and independent of basis set used, there are no problems with using plane…
NWChem: Past, Present, and Future
E. Aprà, E. J. Bylaska, W. A. de Jong +111
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…