3 papers
physics.chem-ph2026
A Vibronic Coupling Model to Study the Nonadiabatic Dynamics of Polyenes
Timothy N. Georges, Louis Summerley, Johan E. Runeson +1
We develop a linear vibronic coupling (LVC) model for polyenes described by the extended Hubbard-Peierls Hamiltonian. This model is applied to trans-hexatriene to benchmark quantum…
quant-ph2025
Pauli Decomposition via the Fast Walsh-Hadamard Transform
Timothy N. Georges, Bjorn K. Berntson, Christoph Sünderhauf +1
The decomposition of a square matrix into a sum of Pauli strings is a classical pre-processing step required to realize many quantum algorithms. Such a decomposition requires signi…
quant-ph2025
Quantum Simulations of Chemistry in First Quantization with any Basis Set
Timothy N. Georges, Marius Bothe, Christoph Sünderhauf +3
Quantum computation of the energy of molecules and materials is one of the most promising applications of fault-tolerant quantum computers. Practical applications require developme…