66 citations · 202 across the 9 of their papers we have counts for
9 papers
Symmetry conservation with Trotterization and Quantum Phase Estimation
Edith Leal-Sánchez, Fanny Vain, Jong-Kwon Ha +1
Quantum algorithms for quantum chemistry and other many-body fermionic systems work by expressing the Hamiltonian in a basis of qubits and fragmenting the Hamiltonian into a sum of…
Analog Quantum Simulation of Coupled Electron-Nuclear Dynamics in Molecules
Jong-Kwon Ha, Ryan J. MacDonell
Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dy…
Experimental Quantum Simulation of Chemical Dynamics
T. Navickas, R. J. MacDonell, C. H. Valahu +10
Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simu…
Simulating open-system molecular dynamics on analog quantum computers
V. C. Olaya-Agudelo, B. Stewart, C. H. Valahu +6
Interactions of molecules with their environment influence the course and outcome of almost all chemical reactions. However, classical computers struggle to accurately simulate com…
Direct observation of geometric phase in dynamics around a conical intersection
Christophe H. Valahu, Vanessa C. Olaya-Agudelo, Ryan J. MacDonell +9
Conical intersections are ubiquitous in chemistry and physics, often governing processes such as light harvesting, vision, photocatalysis, and chemical reactivity. They act as funn…
Predicting molecular vibronic spectra using time-domain analog quantum simulation
Ryan J. MacDonell, Tomas Navickas, Tim F. Wohlers-Reichel +8
Spectroscopy is one of the most accurate probes of the molecular world. However, predicting molecular spectra accurately is computationally difficult because of the presence of ent…
A comparison of partial atomic charges for electronically excited states
Ryan J. MacDonell, Serguei Patchkovskii, Michael S. Schuurman
Partial atomic charges are a useful and intuitive concept for understanding molecular properties and chemical reaction mechanisms, showing how changes in molecular geometry can aff…
Resolving Competing Conical Intersection Pathways: Time-Resolved X-ray Absorption Spectroscopy of trans-1,3-Butadiene
Issaka Seidu, Simon P. Neville, Ryan J. MacDonell +1
Time-resolved X-ray absorption spectroscopy is emerging as a uniquely powerful tool to probe coupled electronic-nuclear dynamics in photo-excited molecules. Theoretical studies to…
Analog quantum simulation of chemical dynamics
Ryan J. MacDonell, Claire E. Dickerson, Clare J. T. Birch +5
Ultrafast chemical reactions are difficult to simulate because they involve entangled, many-body wavefunctions whose computational complexity grows rapidly with molecular size. In…