| Is the trotterized uccsd ansatz chemically well-defined? HR Grimsley, D Claudino, SE Economou, E Barnes, NJ Mayhall Journal of chemical theory and computation 16 (1), 1-6, 2019 | 145 | 2019 |
| Automatic partition of orbital spaces based on singular value decomposition in the context of embedding theories D Claudino, NJ Mayhall Journal of Chemical Theory and Computation 15 (2), 1053-1064, 2019 | 62 | 2019 |
| Benchmarking adaptive variational quantum eigensolvers D Claudino, J Wright, AJ McCaskey, TS Humble Frontiers in Chemistry 8, 606863, 2020 | 38 | 2020 |
| Simple and efficient truncation of virtual spaces in embedded wave functions via concentric localization D Claudino, NJ Mayhall Journal of Chemical Theory and Computation 15 (11), 6085-6096, 2019 | 38 | 2019 |
| Extending C++ for heterogeneous quantum-classical computing A Mccaskey, T Nguyen, A Santana, D Claudino, T Kharazi, H Finkel ACM Transactions on Quantum Computing 2 (2), 1-36, 2021 | 37* | 2021 |
| Improving the accuracy and efficiency of quantum connected moments expansions D Claudino, B Peng, NP Bauman, K Kowalski, TS Humble Quantum Science and Technology 6 (3), 034012, 2021 | 21 | 2021 |
| Coupled-cluster based basis sets for valence correlation calculations D Claudino, R Gargano, RJ Bartlett The Journal of Chemical Physics 144 (10), 2016 | 19 | 2016 |
| Investigation of the abstraction and dissociation mechanism in the nitrogen trifluoride channels: combined post-Hartree–Fock and Transition State Theory approaches D Claudino, R Gargano, VH Carvalho-Silva, GM e Silva, WF Da Cunha The Journal of Physical Chemistry A 120 (28), 5464-5473, 2016 | 12 | 2016 |
| Quantum solvers for plane-wave hamiltonians: Abridging virtual spaces through the optimization of pairwise correlations EJ Bylaska, D Song, NP Bauman, K Kowalski, D Claudino, TS Humble Frontiers in Chemistry 9, 603019, 2021 | 11 | 2021 |
| The basics of quantum computing for chemists D Claudino International Journal of Quantum Chemistry 122 (23), e26990, 2022 | 10 | 2022 |
| ExaTN: Scalable GPU-Accelerated High-Performance Processing of General Tensor Networks at Exascale DI Lyakh, T Nguyen, D Claudino, E Dumitrescu, AJ McCaskey Frontiers in Applied Mathematics and Statistics 8, 838601, 2022 | 9 | 2022 |
| A Backend-agnostic, Quantum-classical Framework for Simulations of Chemistry in C++ D Claudino, AJ McCaskey, DI Lyakh ACM Transactions on Quantum Computing 4 (1), 1-20, 2022 | 8 | 2022 |
| Determination of consistent semiempirical one-centre integrals based on coupled-cluster theory JT Margraf, D Claudino, RJ Bartlett Molecular Physics 115 (5), 538-544, 2017 | 7 | 2017 |
| Modeling singlet fission on a quantum computer D Claudino, B Peng, K Kowalski, TS Humble The Journal of Physical Chemistry Letters 14 (24), 5511–5516, 2023 | 5 | 2023 |
| Numerical simulations of noisy quantum circuits for computational chemistry J Wright, M Gowrishankar, D Claudino, PC Lotshaw, T Nguyen, ... Materials Theory 6 (1), 18, 2022 | 5 | 2022 |
| Coupled-cluster based basis sets for valence correlation calculations. New primitives, frozen atomic natural orbitals, and basis sets from double to hextuple zeta for atoms H … D Claudino, RJ Bartlett The Journal of Chemical Physics 149 (6), 2018 | 5 | 2018 |
| Quantum Simulation of Boson-Related Hamiltonians: Techniques, Effective Hamiltonian Construction, and Error Analysis B Peng, Y Su, D Claudino, K Kowalski, GH Low, M Roetteler arXiv preprint arXiv:2307.06580, 2023 | 3 | 2023 |
| Erratum:“Coupled-cluster based basis sets for valence correlation calculations”[J. Chem. Phys. 144, 104106 (2016)] D Claudino, R Gargano, RJ Bartlett The Journal of Chemical Physics 145 (1), 2016 | 3 | 2016 |
| Numerical Simulations of Noisy Variational Quantum Eigensolver Ansatz Circuits M Gowrishankar, J Wright, D Claudino, T Nguyen, A McCaskey, ... 2021 IEEE International Conference on Quantum Computing and Engineering (QCE …, 2021 | 2 | 2021 |
| A new "gold standard": perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing ZW Windom, D Claudino, RJ Bartlett arXiv preprint arXiv:2401.06036, 2024 | 1 | 2024 |
Travis HumbleOak Ridge National LaboratoryVerified email at ornl.gov
