Python package to analyse the structural dynamics of perovskites

Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.

Jupyter notebooks outlining theory and calculations for hot polaron cooling in halide perovskite solar cells

Collection of useful functions to manipulate/analyse the structures of hybrid organic-inorganic perovskites

Frontiers in 2D Perovskene: Tailoring ABC3 Perovskite Structures for Next-Generation Material Applications

Drift-Diffusion-Simulations of ionic solar cells

Companion repo to "Deep learning the properties of inorganic perovskites"

Regression model package predicting the energy above hull of perovskite oxides.

Tuning halide ion concentrations to optimize the performance of flexible perovskite solar cells under bending curvature. Using simulations and experimental data, the research explores how strains affect key properties like bandgap energy, charge mobility, and thermal conductivity with applications in solar cells for curved surfaces.

SMACT app for outreach

Band Gap Prediction for low-dimensional antimony(III) and bismuth(III) halides with 1D-anions.