2 papers
physics.chem-ph2026
Enhancing quantum-classical configuration interaction methods using a neural-network classifier
Severino Zeni, Giovanni Varutti, Jacopo Nespolo +1
Selected configuration interaction methods achieve near-exact electronic structure calculations by iteratively constructing compact variational spaces, but their efficiency depends…
physics.comp-ph2019
(py)LIon: a package for simulating trapped ion trajectories
E. Bentine, C. J. Foot, D. Trypogeorgos
The (py)LIon package is a set of tools to simulate the classical trajectories of ensembles of ions in electrodynamic traps. Molecular dynamics simulations are performed using LAMMP…