3 papers
quant-ph2026
Operator Entanglement in Quantum Dynamics Simulations: Formalism and Analysis Tools
Tzu Yu Wang, Michael Schuurman, Simon Neville
We review the framework of operator Hilbert space and introduce the one- and two-particle super reduced density matrices (1-SRDMs and 2-SRDMs), as well as the super mutual informat…
physics.chem-ph2024
Femtosecond Core-Level Charge Transfer
Simon P. Neville, Martha Yaghoubi Jouybari, Michael S. Schuurman
Charge transfer is a fundamental phenomenon in biology and chemistry, and involves the movement of charge through a system driven by nuclear dynamics. Because of the involvement of…
physics.chem-ph2024
Time resolved quantum tomography in molecular spectroscopy by the Maximal Entropy Approach
Varun Makhija, Rishabh Gupta, Simon Neville +3
Attosecond science offers unprecedented precision in probing the initial moments of chemical reactions, revealing the dynamics of molecular electrons that shape reaction pathways.…