Laura Gagliardi Chemistry and Molecular Engineering
Papers from The NSF QuBBE QLCI
Q. Wang, M. Motta, R. D'Cunha, K.J. Sung, M.R. Hermes, T. Gujarati, Y. Kawashima, Y.-y. Ohnishi, G.O. Jones, and L. Gagliardi, "Sample-Based Quantum Diagonalization as Parallel Fragment Solver for the Localized Active Space Self-Consistent Field Method", arXiv:2512.14936 (2025)
Q. Wang, R. D'Cunha, A. Mitra, S.K. Gray, M. Otten, and L. Gagliardi, "Nonunitary Variational Quantum Eigensolver with the Localized Active Space Method and Cost Mitigation", J Phys Chem A 129 7999-8012 (2025)
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. 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", J Phys Chem Lett 16 3092-3099 (2025)
J.S. Feder, B.S. Soloway, S. Verma, Z.Z. Geng, S. Wang, B.B. Kifle, E.G. Riendeau, Y. Tsaturyan, L.R. Weiss, M. Xie, J. Huang, A. Esser-Kahn, L. Gagliardi, D.D. Awschalom, and P.C. Maurer, "A Fluorescent-Protein Spin Qubit", Nature 645 73-79 (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", J Chem Phys 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", J Chem Theory Comput 20 7865-7875 (2024)
J.S. Feder, B.S. Soloway, S. Verma, Z.Z. Geng, S. Wang, B.B. Kifle, E.G. Riendeau, Y. Tsaturyan, L.R. Weiss, M. Xie, J. Huang, A. Esser-Kahn, L. Gagliardi, D.D. Awschalom, and P.C. Maurer, "A Fluorescent-Protein Spin Qubit", arXiv preprint arXiv:2411.16835 (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", J Chem Theory Comput 20 3121-3130 (2024)
R. D'Cunha, M. Otten, M.R. Hermes, L. Gagliardi, and S.K. Gray, "Data For: State Preparation in Quantum Algorithms for Fragment-Based Quantum Chemistry", (2023)
News from The NSF QuBBE QLCI
Physics Breakthough 12/11/2025
Peter Maurer, David Awschalom, Laura Gagliardi, and Aaron Esser-Kahn's research on fluorescent-protein spin qubits has been named one of the top 10 physics breakthoughs of 2025.
Award 4/24/2025
Laura Gagliardi has been awarded the 2025 Solvay Chair in Chemistry.
NSF IMSI Workshop 3/25/2024
David Mazziotti and Laura Gagliardi are speaking at NSF's Institute for Mathematical and Statistical Innovation workshop: Machine Learning in Electronic-Structure Theory.
Award 7/7/2023
Laura Gagliardi has received the 2023 Pauling Medal Award for Outstanding Achievements in Chemistry.
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.