699 citations · 1k across the 35 of their papers we have counts for
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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…
TAMM: Tensor Algebra for Many-body Methods
Erdal Mutlu, Ajay Panyala, Nitin Gawande +7
Tensor contraction operations in computational chemistry consume significant fractions of computing time on large-scale computing platforms. The widespread use of tensor contractio…