Matthias Degroote
Matthias Degroote
Boehringer Ingelheim Quantum Lab
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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
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
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
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
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
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
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
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
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
Natural evolutionary strategies for variational quantum computation
A Anand, M Degroote, A Aspuru-Guzik
Machine Learning: Science and Technology 2 (4), 045012, 2021
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
Towards the simulation of large scale protein–ligand interactions on NISQ-era quantum computers
FD Malone, RM Parrish, AR Welden, T Fox, M Degroote, E Kyoseva, ...
Chemical Science 13 (11), 3094-3108, 2022
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
An artificial spiking quantum neuron
LB Kristensen, M Degroote, P Wittek, A Aspuru-Guzik, NT Zinner
npj Quantum Information 7 (1), 59, 2021
Faddeev random-phase approximation for molecules
M Degroote, D Van Neck, C Barbieri
Physical Review A 83 (4), 042517, 2011
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
Drug design on quantum computers
R Santagati, A Aspuru-Guzik, R Babbush, M Degroote, L Gonzalez, ...
Nature Physics, 1-9, 2024
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
Accuracy of the Faddeev random phase approximation for light atoms
C Barbieri, D Van Neck, M Degroote
Physical Review A 85 (1), 012501, 2012
Fault-tolerant quantum algorithm for symmetry-adapted perturbation theory
CL Cortes, M Loipersberger, RM Parrish, S Morley-Short, W Pol, S Sim, ...
PRX Quantum 5 (1), 010336, 2024
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