Publications
Preprints, publications, and software.
Preprints
2025: Quantum Krylov algorithm using unitary decomposition for exact eigenstates of fermionic systems using quantum computers
arxiv.org:2512.11788
2025: Cyclic Variational Quantum Eigensolver: Escaping Barren Plateaus through Staircase Descent
arxiv.org:2509.13096
2025: On the generalized eigenvalue problem in subspace-based excited state methods for quantum computers
arxiv.org:2503.09670
Publications
Published before UND
2023: Minimizing state preparation times in pulse-level variational molecular simulations
PR Applied, 19, 064071, 2023.
2023: Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer
Chem. Sci., 14, 2405, 2023.
2022: Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits
J. Chem. Theory Comput., 18, 5312, 2022.
2021: Analytic evaluation of energy first derivatives for spin–orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an implementation for first-order properties
J. Chem. Theory Comput., 154, 064110, 2021.
2020: Mapping the Electronic Structure of the Uranium(VI) Dinitride Molecule, UN2
J. Phys. Chem. A, 124, 6486, 2020.
2019: Exact two-component equation-of-motion coupled-cluster singles and doubles method using atomic mean-field spin-orbit integrals
J. Chem. Phys., 150, 074102, 2019.
2018: Unitary coupled-cluster based self-consistent polarization propagator theory: A third-order formulation and pilot applications
J. Chem. Phys., 148, 244110, 2018.
2018: Two-component relativistic coupled-cluster methods using mean-field spin-orbit integrals
J. Chem. Phys., 148, 034106, 2018.