2 papers
quant-ph2024
NSF-UKRI Bilateral Workshop: Quantum Information Science in Chemistry
Gregory D Scholes, Alexandra Olaya-Castro, Shaul Mukamel +4
This document summarizes the context and main outcomes of the discussions that took place during the NSF-UKRI bilateral workshop on Quantum Information Science in Chemistry, held o…
physics.chem-ph2024
Ultrafast electron diffraction of photoexcited gas-phase cyclobutanone predicted by ab initio multiple cloning simulations
Dmitry V. Makhov, Adam Kirrander, Dmitrii V. Shalashilin
We present the result of our calculations of ultrafast electron diffraction (UED) for cyclobutanone excited into electronic state, which are based on the non-adiabatic dynami…