3 citations · 5 across the 5 of their papers we have counts for
6 papers
Full-frequency GW from Cayley-transformed self-energy moments
Marcus K. Allen, George H. Booth
The dynamical GW self-energy approximation is a key computational tool to provide the fundamental spectrum of electronic systems. We reformulate this approximation, representing th…
The Future of Computing for Materials Science Challenges
Phalgun Lolur, Richard P. Padbury, George H. Booth +10
Materials discovery increasingly relies on the coordinated use of theory, computation, experiment, data-driven methods, and emerging quantum technologies, yet the full potential of…
Excitation Amplitude Sampling for Low Variance Electronic Structure on Quantum Computers
Connor Lenihan, Oliver J. Backhouse, Basil Ibrahim +4
We combine classical heuristics with partial shadow tomography to enable efficient protocols for extracting information from correlated ab initio electronic systems encoded on quan…
Self-consistent GW via conservation of spectral moments
Oliver J. Backhouse, Marcus K. Allen, Charles C. J. Scott +1
We expand on a recently introduced alternate framework for simulation of charged excitations [Scott et. al., J. Chem. Phys., 158, 124102 (2023)], based around the conservation…
Advancing Surface Chemistry with Large-Scale Ab-Initio Quantum Many-Body Simulations
Zigeng Huang, Zhen Guo, Changsu Cao +5
Predictive simulation of surface chemistry is of paramount importance for progress in fields from catalysis to electrochemistry and clean energy generation. Ab-initio quantum many-…
Comparative study on compact quantum circuits of hybrid quantum-classical algorithms for quantum impurity models
Rihito Sakurai, Oliver J. Backhouse, George H. Booth +2
Predicting the properties of strongly correlated materials is a significant challenge in condensed matter theory. The widely used dynamical mean-field theory faces difficulty in so…