38 citations · 140 across the 26 of their papers we have counts for
6 papers · 1 filter
A constructive solution to the -representability problem
Nicholas C. Rubin, A. Eugene DePrince
We present an instantiation of the constructive solution to the fermionic quantum marginal problem by building the complete family of two-body witnesses at each level of a weighted…
Spectral amplification for ground-state energy estimation of electronic structure in first quantization
Alicja Dutkiewicz, Alec F. White, Guang Hao Low +6
We demonstrate an asymptotic gate complexity improvement in first-quantized ground-state energy estimation of electronic structure Hamiltonians in a plane wave basis by employing t…
Near-frustration-free electronic structure Hamiltonian representations and lower bound certificates
Nicholas C. Rubin, Guang Hao Low, A. Eugene DePrince
Hamiltonian representations based on the sum-of-squares (SOS) hierarchy provide rigorous lower bounds on ground-state energies and facilitate the design of efficient classical and…
Fast quantum simulation of electronic structure by spectrum amplification
Guang Hao Low, Robbie King, Dominic W. Berry +6
The most advanced techniques using fault-tolerant quantum computers to estimate the ground-state energy of a chemical Hamiltonian involve compression of the Coulomb operator throug…
Quantum Simulation of Realistic Materials in First Quantization Using Non-local Pseudopotentials
Dominic W. Berry, Nicholas C. Rubin, Ahmed O. Elnabawy +5
This paper improves and demonstrates the usefulness of the first quantized plane-wave algorithms for the quantum simulation of electronic structure, developed by Babbush et al. and…
Fault-tolerant quantum simulation of materials using Bloch orbitals
Nicholas C. Rubin, Dominic W. Berry, Fionn D. Malone +8
The simulation of chemistry is among the most promising applications of quantum computing. However, most prior work exploring algorithms for block-encoding, time-evolving, and samp…