Head-Marsden Group Papers

DOI L.H. Delgado-Granados, T.J. Krogmeier, L.M. Sager-Smith, I. Avdic, Z. Hu, M. Sajjan, M. Abbasi, S.E. Smart, P. Narang, S. Kais, A.W. Schlimgen, K. Head-Marsden, and D.A. Mazziotti, Quantum Algorithms and Applications for Open Quantum Systems arXiv:2406.05219 (2024).

DOI T.J. Krogmeier, A.W. Schlimgen, and K. Head-Marsden, Low temperature decoherence dynamics in molecular spin systems using the Lindblad master equation Chem. Sci., 15, 19834-19841 (2024).

DOI J.S. Lampert, T.J. Krogmeier, A.W. Schlimgen, and K. Head-Marsden, Orbital entanglement and the double d-shell effect in binary transition metal molecules J. Chem. Phys., 161 (17), 174103 (2024).

DOI E.K. Oh, T.J. Krogmeier, A.W. Schlimgen, and K. Head-Marsden, Singular value decomposition algorithm for quantum biology ACS Phys. Chem. Au, 4, 393-399 (2024).

DOI C.A. Hart, A.W. Schlimgen, D.B. Dao, K. Head-Marsden, and R. Mabbs, The overlooked role of excited anion states in NiO₂^- photodetachment J. Chem. Phys., 160 (4), 044304 (2024).

DOI T.J. Krogmeier, E.S. Pappas, K.A. Reardon, M.R. Rivera, K. Head-Marsden, B.F. Parsons, and A.W. Schlimgen, Characterizing the origin band spectrum of isoquinoline with resonance enhanced multiphoton ionization and electronic structure calculations J. Chem. Phys., 159 (13), 134305 (2023).

DOI A.W. Schlimgen, Y. Guo, and K. Head-Marsden, Characterizing excited states of a copper-based molecular qubit candidate with correlated electronic structure methods J. Phys. Chem. A, 127 (32), 6764-6770 (2023).

Prior to 2022

DOI A.W. Schlimgen, K. Head-Marsden, L.M. Sager-Smith, P. Narang, and D.A. Mazziotti, Quantum Simulation of Open Quantum Systems Using Density-Matrix Purification arXiv:2207.07112 (2022).

DOI S. Krastanov, K. Head-Marsden, S. Zhou, S.T. Flammia, L. Jiang, and P. Narang, Unboxing quantum black box models: Learning non-Markovian dynamics arXiv:2009.03902 (2020).

DOI A.W. Schlimgen, K. Head-Marsden, L.M. Sager-Smith, P. Narang, and D.A. Mazziotti, Quantum state preparation and non-unitary evolution with diagonal operators Phys. Rev. A, 106, 022414 (2022).

DOI A.W. Schlimgen, K. Head-Marsden, L.M. Sager-Smith, P. Narang, and D.A. Mazziotti, Quantum simulation of the Lindblad equation using a unitary decomposition of operators Phys. Rev. Res., 4, 023216 (2022).

DOI Z. Hu, K. Head-Marsden, D.A. Mazziotti, P. Narang, and S. Kais, A general quantum algorithm for open quantum dynamics demonstrated with the Fenna-Matthews-Olson complex, Quantum, 6, 726 (2022).

DOI A.W. Schlimgen, K. Head-Marsden, L.M. Sager-Smith, P. Narang, and D.A. Mazziotti, Quantum simulation of open quantum systems using a unitary decomposition of operators Phys. Rev. Lett., 127, 270503 (2021).

DOI K. Head-Marsden, S. Krastanov, D.A. Mazziotti, and P. Narang, Capturing non-Markovian dynamics on near-term quantum computers Phys. Rev. Res., 3, 013182 (2021).

DOI K. Head-Marsden, J. Flick, C.J. Ciccarinio, and P. Narang, Quantum information and algorithms for correlated quantum matter Chem. Rev., 121 (5), 3061-3120 (2020).

DOI K. Head-Marsden and D.A. Mazziotti, Active-space pair two-electron reduced density matrix theory for strong correlation J. Phys. Chem. A, 124 (23), 4848-4854 (2020).

DOI K. Head-Marsden and D.A. Mazziotti, Satisfying fermionic statistics in the modeling of non-Markovian dynamics with one-electron reduced density matrices J. Chem. Phys., 151, 034111 (2019).

DOI K. Head-Marsden and D.A. Mazziotti, Ensemble of Lindblad’s trajectories for non-Markovian dynamics Phys. Rev. A, 99, 022109 (2019).

DOI O. Werba, A.E. Raeber, K. Head-Marsden, D.A. Mazziotti, Signature of van der Waals interactions in the cumulant density matrix Phys. Chem. Chem. Phys., 21, 23900-23905 (2019).

DOI M. Sajjan, K. Head-Marsden, and D.A. Mazziotti, Entangling and disentangling many-electron quantum systems with an electric field Phys. Rev. A, 97, 062502 (2018).

DOI K. Head-Marsden and D.A. Mazziotti, Pair 2-electron reduced density matrix theory using localized orbitals J. Chem. Phys., 147, 084101 (2017).

DOI K. Head-Marsden and D.A. Mazziotti, Communication: Satisfying fermionic statistics in the modeling of open time-dependent quantum systems with one-electron reduced density matrices J. Chem. Phys., 142, 051102 (2015).