The MOLDY short-range molecular dynamics package. - Graeme J. Ackland; K. D'Mellow; S. L. Daraszewicz; D. J. Hepburn; Martin Uhrin; K. Stratford (Comput. Phys. Commun., 2011)

Understanding the structure of materials at the intersection of rationalisation, prediction and Big Data. - Martin Uhrin (2015)

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance. - Sebastiaan P. Huber; Spyros Zoupanos; Martin Uhrin; Leopold Talirz; Leonid Kahle; Rico Häuselmann; Dominik Gresch; Tiziano Müller; Aliaksandr V. Yakutovich; Casper W. Andersen; Francisco F. Ramirez; Carl S. Adorf; et al. (CoRR, 2020)

Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows. - Martin Uhrin; Sebastiaan P. Huber; Jusong Yu; Nicola Marzari; Giovanni Pizzi (CoRR, 2020)

kiwiPy: Robust, high-volume, messaging for big-data and computational science workflows. - Martin Uhrin; Sebastiaan P. Huber (J. Open Source Softw., 2020)

Machine learning Hubbard parameters with equivariant neural networks. - Martin Uhrin; Austin Zadoks; Luca Binci; Nicola Marzari; Iurii Timrov (CoRR, 2024)