Hydrodynamic Backflow for Easing the Fermion Sign in Finite-Temperature Electron Path Integral Simulations

Ingvars Vitenburgs, Jarvist Moore Frost

Machine learning intermolecular transfer integrals with compact atomic cluster representations

Keerati Keeratikarn, Christoph Ortner, Jarvist Moore Frost

Slow cooling of hot polarons in halide perovskite solar cells

Jarvist Moore Frost, Lucy D. Whalley, Aron Walsh

Learning the Fermion sign structure in path-integral Monte Carlo

Jarvist Moore Frost

The paper reformulates the fermion sign problem in path‑integral Monte Carlo as a statistical inference task, using probabilistic models and machine‑learning (LSTM) to predict perm…

Quantum dynamic simulation of triplet formation in an effective model of Y6 (BTP-4F)

Isabel Creed, Lucy J. F. Hart, Pranay Venkatesh +2

Multiple phonon modes in Feynman path-integral variational polaron mobility

Bradley A. A. Martin, Jarvist Moore Frost

Sparse hierarchical representation learning on molecular graphs

Matthias Bal, Hagen Triendl, Mariana Assmann +6

Calculating polaron mobility in halide perovskites

Jarvist Moore Frost

Six Open Questions in Machine-Learned Interatomic Potential Foundation Models

Isabel Creed, Tim Rein, Ingvars Vitenburgs +21

Predicting polaron mobility in organic semiconductors with the Feynman variational approach

Bradley A. A. Martin, Jarvist Moore Frost

Anharmonic phonons with Gaussian processes

Keerati Keeratikarn, Jarvist Moore Frost

Review: Solid-state physics of halide perovskites

Jarvist Moore Frost

Correcting hybrid density functionals to model Y6 and other non-fullerene acceptors

Tom Ward, Isabel Creed, Tim Rein +1

Spindrift: Learning quantum degeneracy from thermal purity in restricted path integral Monte Carlo

Jarvist Moore Frost