Laura Gagliardi Chemistry and Molecular Engineering
Papers from The NSF QuBBE QLCI
Q. Wang, R. D'Cunha, A. Mitra, Y. Alexeev, S.K. Gray, M. Otten, and L. Gagliardi, "Non-Unitary Variational Quantum Eigensolver with the Localized Active Space Method and Cost Mitigation", arXiv preprint arXiv:2501.13371 (2025)
L. Otis, Y. Jin, V.W.-z. Yu, S. Chen, L. Gagliardi, and G. Galli, "Strongly Correlated States of Transition Metal Spin Defects: The Case of an Iron Impurity in Aluminum Nitride", The Journal of Physical Chemistry Letters 16 3092-3099 (2025)
Q. Wang, V. Agarawal, M.R. Hermes, M. Motta, J.E. Rice, G.O. Jones, and L. Gagliardi, "Distinguishing Homolytic Vs Heterolytic Bond Dissociation of Phenylsulfonium Cations with Localized Active Space Methods", The Journal of Chemical Physics 161 (2024)
A. Mitra, R. D’Cunha, Q. Wang, M.R. Hermes, Y. Alexeev, S.K. Gray, M. Otten, and L. Gagliardi, "The Localized Active Space Method with Unitary Selective Coupled Cluster", Journal of chemical theory and computation 20 7865-7875 (2024)
R. D’Cunha, M. Otten, M.R. Hermes, L. Gagliardi, and S.K. Gray, "State Preparation in Quantum Algorithms for Fragment-Based Quantum Chemistry", Journal of Chemical Theory and Computation 20 3121-3130 (2024)
News from The NSF QuBBE QLCI
German Academy of Sciences 4/2/2022
Congratulations to Laura Gagliardi, who was elected as a member of the German Academy of Sciences Leopoldina.
Italian Academy of Sciences 12/17/2021
Laura Gagliardi Elected to Italian National Academy of Sciences.