FHI-vibes: _Ab Initio_ Vibrational Simulations. - Florian Knoop; Thomas A. r. Purcell; Matthias Scheffler; Christian Carbogno (J. Open Source Softw., 2020)

SISSO++: A C++ Implementation of the Sure-Independence Screening and Sparsifying Operator Approach. - Thomas A. r. Purcell; Matthias Scheffler; Christian Carbogno; Luca M. Ghiringhelli (J. Open Source Softw., 2022)

Accelerating the Training and Improving the Reliability of Machine-Learned Interatomic Potentials for Strongly Anharmonic Materials through Active Learning. - Kisung Kang; Thomas A. r. Purcell; Christian Carbogno; Matthias Scheffler (CoRR, 2024)

A high-performance and portable implementation of the SISSO method for CPUs and GPUs. - Sebastian Eibl; Yi Yao; Matthias Scheffler; Markus Rampp; Luca M. Ghiringhelli; Thomas A. r. Purcell (CoRR, 2025)