Chemical Physics Cornell University

Overview & Synopsis

This note covers the
following topics: Underscreening in concentrated electrolytes, Automated
construction of molecular active spaces from atomic valence orbitals, Ab-initio
photoelectron spectroscopy of molecular nitrogen in short laser pulses,
Rotational state-selection and alignment of chiral molecules by electrostatic
hexapoles, Path integral molecular dynamics with surface hopping for thermal
equilibrium sampling of nonadiabatic systems, Stability of non-convex gradient
dynamics from the perspective of multiscale non-equilibrium thermodynamics.