Diata Traoré
Affiliations: | 2023-2024 | Laboratoire de Chimie Théorique | Sorbonne Université, Paris, France |
| 2024- | Qubit Pharmaceuticals |
Area:
Theoretical ChemistryWebsite:
https://www.researchgate.net/profile/Diata-TraoreGoogle:
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Parents
Sign in to add mentor| Emmanuel Giner | grad student | 2020-2023 | Sorbonne Université | |
| (PhD Thesis: the extension of the density-based basis-set correction method for calculations of molecular properties) | ||||
| Julien Toulouse | grad student | 2020-2023 | Sorbonne Université | |
| (PhD Thesis: the extension of the density-based basis-set correction method for calculations of molecular properties) | ||||
| Jean-Philip Piquemal | post-doc | 2023- | Sorbonne Université | |
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Publications
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| Traore D, Toulouse J, Giner E. (2024) Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method. Faraday Discussions |
| Traore D, Giner E, Toulouse J. (2023) Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies. The Journal of Chemical Physics. 158 |
| Traore D, Toulouse J, Giner E. (2022) Basis-set correction for coupled-cluster estimation of dipole moments. The Journal of Chemical Physics. 156: 174101 |
| Traore D, Giner E, Toulouse J. (2022) Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional model. The Journal of Chemical Physics. 156: 044113 |
| Giner E, Traore D, Pradines B, et al. (2021) Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments? The Journal of Chemical Physics. 155: 044109 |