3 papers
quant-ph2026
Electron-molecule scattering via R-matrix variational algorithms on a quantum computer
Dario Picozzi, Jonathan Tennyson, Vincent Graves +1
Electron-molecule collisions play a central role in both natural processes and modern technological applications, particularly in plasma processing. Conventional computational stra…
quant-ph2026
Resource-efficient Quantum Algorithms for Selected Hamiltonian Subspace Diagonalization
Vincent Graves, Manqoba Q. Hlatshwayo, Theodoros Kapourniotis +1
Quantum algorithms for selecting a subspace of Hamiltonians to diagonalize have emerged as a promising alternative to variational algorithms in the NISQ era. So far, such algorithm…
physics.chem-ph2025
The Electronic Structure of the Hydrogen Molecule: A Tutorial Exercise in Classical and Quantum Computation
Vincent Graves, Christoph Sünderhauf, Nick S. Blunt +2
In this educational paper, we will discuss calculations on the hydrogen molecule both on classical and quantum computers. In the former case, we will discuss the calculation of mol…