34 citations · 60 across the 6 of their papers we have counts for
6 papers
Multivariate quantum state preparation with optimized tensor networks
Matthew L. Sims-Goh, Lukasz Cincio, Annina Z. Lieberherr +2
Quantics tensor trains are attracting intense interest for quantum-inspired computing and quantum state preparation. These methods, which approximate continuum functions by represe…
Two-dimensional electronic spectra from trajectory-based dynamics: pure-state Ehrenfest, spin-mapping, and mean classical path approaches
Annina Z. Lieberherr, Joseph Kelly, Johan E. Runeson +2
Two-dimensional electronic spectroscopy (2DES) provides a detailed picture of electronically nonadiabatic dynamics that can be interpreted with the aid of simulations. Here, we dev…
Vibrational Entanglement through the Lens of Quantum Information Measures
Nina Glaser, Alberto Baiardi, Annina Z. Lieberherr +1
We introduce a quantum information analysis of vibrational wave functions to understand complex vibrational spectra of molecules with strong anharmonic couplings and vibrational re…
Fast quasi-centroid molecular dynamics for water and ice
Joseph E. Lawrence, Annina Z. Lieberherr, Theo Fletcher +1
We describe how the fast quasi-centroid molecular dynamics (f-QCMD) method can be applied to condensed phase systems by approximating the quasi-centroid potential of mean force as…
Optimal transport distances to characterise electronic excitations
Annina Z. Lieberherr, Paola Gori-Giorgi, Klaas J. H. Giesbertz
Understanding the character of electronic excitations is important in computational and reaction mechanistic studies, but their classification from simulations remains an open prob…
Vibrational strong coupling in liquid water from cavity molecular dynamics
Annina Z. Lieberherr, Seth T. E. Furniss, Joseph E. Lawrence +1
We assess the cavity molecular dynamics method for the calculation of vibrational polariton spectra, using liquid water as a specific example. We begin by disputing a recent sugges…