AiiDAlab – an ecosystem for developing, executing, and sharing scientific workflows

Materials Cloud, a platform for open computational science

(2020) Leopold Talirz et al.   Scientific Data

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance

(2020) Sebastiaan P. Huber et al.   Scientific Data

Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds

(2018) Nicolas Mounet et al.   Nature Nanotechnology

On-Surface Synthesis of Atomically Precise Graphene Nanoribbons

(2016) Leopold Talirz et al.   ADVANCED MATERIALS

AiiDA: automated interactive infrastructure and database for computational science

(2016) Giovanni Pizzi et al.   COMPUTATIONAL MATERIALS SCIENCE

The FAIR Guiding Principles for scientific data management and stewardship

(2016) Mark D. Wilkinson et al.   Scientific Data

Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

(2013) James E. Saal et al.   JOM

AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations

(2012) Stefano Curtarolo et al.   COMPUTATIONAL MATERIALS SCIENCE

The Computational Materials Repository

(2012) David D. Landis et al.   COMPUTING IN SCIENCE & ENGINEERING

A high-throughput infrastructure for density functional theory calculations

(2011) Anubhav Jain et al.   COMPUTATIONAL MATERIALS SCIENCE

The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age

(2011) Sam Adams et al.   Journal of Cheminformatics

Atomically precise bottom-up fabrication of graphene nanoribbons

(2010) Jinming Cai et al.   NATURE