Articles with public access mandates - Matthias DegrooteLearn more
Not available anywhere: 2
Extended random phase approximation method for atomic excitation energies from correlated and variationally optimized second-order density matrices
H van Aggelen, B Verstichel, G Acke, M Degroote, P Bultinck, PW Ayers, ...
Computational and Theoretical Chemistry 1003, 50-54, 2013
Mandates: Research Foundation (Flanders)
Spin polynomial similarity transformation for repulsive Hamiltonians: interpolating between coupled cluster and spin-projected unrestricted Hartree–Fock
JA Gomez, M Degroote, J Zhao, Y Qiu, GE Scuseria
Physical Chemistry Chemical Physics 19 (33), 22385-22394, 2017
Mandates: US National Science Foundation
Available somewhere: 17
Noisy intermediate-scale quantum algorithms
K Bharti, A Cervera-Lierta, TH Kyaw, T Haug, S Alperin-Lea, A Anand, ...
Reviews of Modern Physics 94 (1), 015004, 2022
Mandates: US Department of Energy, US Department of Defense, Natural Sciences and …
Quantum chemistry in the age of quantum computing
Y Cao, J Romero, JP Olson, M Degroote, PD Johnson, M Kieferová, ...
Chemical reviews 119 (19), 10856-10915, 2019
Mandates: US Department of Energy, US Department of Defense, US Office of the Director …
A quantum computing view on unitary coupled cluster theory
A Anand, P Schleich, S Alperin-Lea, PWK Jensen, S Sim, M Díaz-Tinoco, ...
Chemical Society Reviews 51 (5), 1659-1684, 2022
Mandates: Natural Sciences and Engineering Research Council of Canada
Transfer matrices and excitations with matrix product states
V Zauner, D Draxler, L Vanderstraeten, M Degroote, J Haegeman, ...
New Journal of Physics 17 (5), 053002, 2015
Mandates: Austrian Science Fund, Research Foundation (Flanders), UK Engineering and …
Reliably assessing the electronic structure of cytochrome P450 on today’s classical computers and tomorrow’s quantum computers
JJ Goings, A White, J Lee, CS Tautermann, M Degroote, C Gidney, ...
Proceedings of the National Academy of Sciences 119 (38), e2203533119, 2022
Mandates: US National Science Foundation
Tequila: A platform for rapid development of quantum algorithms
JS Kottmann, S Alperin-Lea, T Tamayo-Mendoza, A Cervera-Lierta, ...
Quantum Science and Technology 6 (2), 024009, 2021
Mandates: US Department of Energy, US Department of Defense
Polynomial similarity transformation theory: A smooth interpolation between coupled cluster doubles and projected BCS applied to the reduced BCS Hamiltonian
M Degroote, TM Henderson, J Zhao, J Dukelsky, GE Scuseria
Physical Review B 93 (12), 125124, 2016
Mandates: US Department of Energy, Government of Spain
Mutual information-assisted adaptive variational quantum eigensolver
ZJ Zhang, TH Kyaw, JS Kottmann, M Degroote, A Aspuru-Guzik
Quantum Science and Technology 6 (3), 035001, 2021
Mandates: US Department of Energy
Efficient quantum computation of molecular forces and other energy gradients
TE O'Brien, M Streif, NC Rubin, R Santagati, Y Su, WJ Huggins, JJ Goings, ...
Physical Review Research 4 (4), 043210, 2022
Mandates: US Department of Energy, Australian Research Council
Natural evolutionary strategies for variational quantum computation
A Anand, M Degroote, A Aspuru-Guzik
Machine Learning: Science and Technology 2 (4), 045012, 2021
Mandates: US Department of Energy, US Department of Defense, Natural Sciences and …
Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian
JM Wahlen-Strothman, TM Henderson, MR Hermes, M Degroote, Y Qiu, ...
The Journal of chemical physics 146 (5), 2017
Mandates: US National Science Foundation, US Department of Energy, US National …
Noise robustness and experimental demonstration of a quantum generative adversarial network for continuous distributions
A Anand, J Romero, M Degroote, A Aspuru‐Guzik
Advanced Quantum Technologies 4 (5), 2000069, 2021
Mandates: US Department of Energy, US Department of Defense, Natural Sciences and …
An artificial spiking quantum neuron
LB Kristensen, M Degroote, P Wittek, A Aspuru-Guzik, NT Zinner
npj Quantum Information 7 (1), 59, 2021
Mandates: US Department of Energy, US Department of Defense, Danish Council for …
Faddeev random-phase approximation for molecules
M Degroote, D Van Neck, C Barbieri
Physical Review A—Atomic, Molecular, and Optical Physics 83 (4), 042517, 2011
Mandates: Research Foundation (Flanders)
A molecular computing approach to solving optimization problems via programmable microdroplet arrays
SY Guo, P Friederich, Y Cao, TC Wu, CJ Forman, D Mendoza, ...
Matter 4 (4), 1107-1124, 2021
Mandates: US Department of Defense, Natural Sciences and Engineering Research Council …
Accuracy of the Faddeev random phase approximation for light atoms
C Barbieri, D Van Neck, M Degroote
Physical Review A—Atomic, Molecular, and Optical Physics 85 (1), 012501, 2012
Mandates: Research Foundation (Flanders)
Estimation of electrostatic interaction energies on a trapped-ion quantum computer
PJ Ollitrault, M Loipersberger, RM Parrish, A Erhard, C Maier, C Sommer, ...
ACS Central Science 10 (4), 882-889, 2024
Mandates: Austrian Science Fund, European Commission
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