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Chemical Physics Cornell University

Chemical Physics Cornell University

Chemical Physics Cornell University

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.

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