53 citations · 246 across the 11 of their papers we have counts for
11 papers
Predicting the Electronic Density Response of Condensed-Phase Systems to Electric Field Perturbations
Alan M Lewis, Paolo Lazzaroni, Mariana Rossi
We present a local and transferable machine learning approach capable of predicting the real-space density response of both molecules and periodic systems to external homogeneous e…
Electronic-structure properties from atom-centered predictions of the electron density
Andrea Grisafi, Alan M. Lewis, Mariana Rossi +1
The electron density of a molecule or material has recently received major attention as a target quantity of machine-learning models. A natural choice to construct a model that yie…
Learning electron densities in the condensed phase
Alan M. Lewis, Andrea Grisafi, Michele Ceriotti +1
We introduce a local machine-learning method for predicting the electron densities of periodic systems. The framework is based on a numerical, atom-centred auxiliary basis, which e…
Ab Initio Linear and Pump-Probe Spectroscopy of Excitons in Molecular Crystals
Alan M. Lewis, Timothy C. Berkelbach
Linear and non-linear spectroscopies are powerful tools used to investigate the energetics and dynamics of electronic excited states of both molecules and crystals. While highly ac…
Ab Initio Lifetime and Concomitant Double-Excitation Character of Plasmons at Metallic Densities
Alan M. Lewis, Timothy C. Berkelbach
The accurate calculation of excited state properties of interacting electrons in the condensed phase is an immense challenge in computational physics. Here, we use state-of-the-art…
Vertex corrections to the polarizability do not improve the GW approximation for the ionization potential of molecules
Alan M. Lewis, Timothy C. Berkelbach
The approximation is based on the neglect of vertex corrections, which appear in the exact self-energy and the exact polarizability. Here, we investigate the importance of ver…
On the low magnetic field effect in radical pair reactions
Alan M. Lewis, Thomas P. Fay, David E. Manolopoulos +3
Radical pair recombination reactions are known to be sensitive to the application of both low and high magnetic fields. The application of a weak magnetic field reduces the singlet…
Spin-dependent charge recombination along para-phenylene molecular wires
Thomas P. Fay, Alan M. Lewis, David E. Manolopoulos
We have used an efficient new quantum mechanical method for radical pair recombination reactions to study the spin-dependent charge recombination along PTZ--Ph--PD…
An efficient quantum mechanical method for radical pair recombination reactions
Alan M. Lewis, Thomas P. Fay, David E. Manolopoulos
The standard quantum mechanical expressions for the singlet and triplet survival probabilities and product yields of a radical pair recombination reaction involve a trace over the…
Magnetoelectroluminescence in organic light emitting diodes
Joseph E. Lawrence, Alan M. Lewis, David E. Manolopoulos +1
The magnetoelectroluminescence of conjugated organic polymer films is widely accepted to arise from a polaron pair mechanism, but their magnetoconductance is less well understood.…
Asymmetric recombination and electron spin relaxation in the semiclassical theory of radical pair reactions
Alan M. Lewis, David E. Manolopoulos, P. J. Hore
We describe how the semiclassical theory of radical pair recombination reactions recently introduced by two of us [D. E. Manolopoulos and P. J. Hore, J. Chem. Phys. 139, 124106 (20…