Platinum-based Catalysts for Oxygen Reduction Reaction simulated with aQuantum Computer
A Predictive Screening Tool to Evaluate the Efficiency of Z/E Photoisomerizable Molecular Switches
Interpolating many-body wave functions for accelerated molecular dynamics on near-exact electronic surfaces
Error-mitigated fermionic classical shadows on noisy quantum devices
Direct observation of coherent azobenzene photochemistry
Fragment Molecular Orbital-based Variational Quantum Eigensolver for Quantum Chemistry in the Age of Quantum Computing
Full Breit Hamiltonian in the Multiwavelets Framework
Quantum Computation of Frequency-Domain Molecular Response Properties Using a Three-Qubit iToffoli Gate
Ultra-fast photochemistry in the strong light-matter coupling regime
Nuclear quantum effects made accessible: local-density fitting in multicomponent methods