14 citations · 15 across the 4 of their papers we have counts for
4 papers
Quantum dynamic simulation of triplet formation in an effective model of Y6 (BTP-4F)
Isabel Creed, Lucy J. F. Hart, Pranay Venkatesh +2
We construct a five-state model for photoexcitation in Y6 (BTP-4F) dimers, and then solve the non-adiabtic dynamics using the Hierarchical Equations of Motion (HEOM) method. We fin…
Six Open Questions in Machine-Learned Interatomic Potential Foundation Models
Isabel Creed, Tim Rein, Ingvars Vitenburgs +21
Machine-learned interatomic potentials (MLIPs) have had a profound impact on molecular modelling in recent years, promising to resolve the long-standing tension between the scale a…
Correcting hybrid density functionals to model Y6 and other non-fullerene acceptors
Tom Ward, Isabel Creed, Tim Rein +1
Recently developed fused-ring electron-acceptors such as Y6 (BTP-4F) have strong oscillator strength, good charge-carrier transport and a small bandgap. They therefore have enormou…
Probability transport on the Fock space of a disordered quantum spin chain
Isabel Creed, David E. Logan, Sthitadhi Roy
Within the broad theme of understanding the dynamics of disordered quantum many-body systems, one of the simplest questions one can ask is: given an initial state, how does it evol…