NOMAD Laboratory

NOMAD Laboratory
Name	NOMAD Laboratory
Established	2018
Type	Research laboratory
Location	City of Knowledge
Director	Dr. Ana Martínez
Staff	120
Fields	Materials science, Chemistry, Physics, Computer science

NOMAD Laboratory NOMAD Laboratory is an international research center focused on computational materials science, high-throughput simulations, and data-driven discovery. It operates at the intersection of Max Planck Society, European Commission, CERN, Lawrence Berkeley National Laboratory, and École Polytechnique Fédérale de Lausanne initiatives, aiming to bridge infrastructures such as European Open Science Cloud, Horizon 2020, and Human Brain Project. The laboratory supports projects connected to Marie Skłodowska-Curie Actions, ERC Advanced Grant, Wellcome Trust, and partnerships with Solid State Physics Division groups in institutions like MIT, Stanford University, University of Cambridge, and University of Oxford.

Overview

NOMAD Laboratory conducts computational research linking Density Functional Theory, Quantum ESPRESSO, VASP, Kohn–Sham equations, and machine-learning frameworks from TensorFlow, PyTorch, scikit-learn, and Jupyter Notebook ecosystems. Its teams include researchers from Max Planck Institute for Solid State Research, Argonne National Laboratory, Oak Ridge National Laboratory, National Institute of Standards and Technology, and NASA Ames Research Center. NOMAD contributes to standards used by ISO, CODATA, W3C, and OECD working groups and aligns with policy instruments like FAIR principles and OpenAIRE guidelines.

History and Development

Founded in the wake of large-scale simulation efforts such as Materials Genome Initiative and projects like AFLOW, Materials Project, and OpenKIM, NOMAD Laboratory grew from collaborations among Technische Universität München, Universität Wien, Sorbonne University, and University of Barcelona. Early milestones mirrored initiatives from Graphene Flagship, Human Frontier Science Program, and the European Research Council networks. Leadership exchanges included fellowships from Fulbright Program and advisory roles linked to European Strategy Forum on Research Infrastructures and G7 Science Ministers deliberations.

Research Areas and Projects

NOMAD Laboratory focuses on themes spanning heterogeneous catalysis studies tied to Fischer–Tropsch process, investigations of perovskite photovoltaics related to Perovskite Solar Cell research, and exploration of topological insulators inspired by Quantum Hall Effect and Nobel Prize in Physics-recognized work. Projects include data-centric efforts echoing Allen Institute for AI methodologies, explorations of high-entropy alloys in collaboration with DARPA-funded programs, and quantum materials modelling connected to QuTech and IBM Quantum partnerships. The lab participates in initiatives tracking emissions reduction similar to Paris Agreement targets and energy transitions discussed at UNFCCC conferences.

Facilities and Instruments

NOMAD Laboratory operates high-performance computing clusters interoperable with PRACE, XSEDE, EuroHPC, and cloud platforms such as Amazon Web Services, Google Cloud, and Microsoft Azure. It leverages electron microscopy facilities inspired by instrumentation at EMBL, SLAC National Accelerator Laboratory, and Diamond Light Source, and maintains synthesis labs comparable to Max Planck Institute for Polymer Research infrastructure. In-situ spectroscopy setups reference techniques from Diamond Light Source beamlines, while quantum simulation hardware links to D-Wave Systems and Rigetti Computing prototypes.

Collaborations and Partnerships

The laboratory partners with a wide range of entities: universities like Harvard University, Princeton University, Yale University, and University of Tokyo; national labs including Rutherford Appleton Laboratory and Paul Scherrer Institute; consortia such as European XFEL and ELIXIR; and industry collaborators like BASF, Siemens, Volkswagen, and Shell. It engages with standards bodies including IEEE and participates in advisory networks with Gordon Research Conferences and Royal Society initiatives. Training programs connect with Coursera, edX, and Codethink-style workshops.

Data Management and Open Science

NOMAD Laboratory implements open-data policies aligned with FAIR principles, Creative Commons licensing, and integration with portals like Zenodo, Figshare, GitHub, and Bitbucket. Data curation workflows follow recommendations from Research Data Alliance, Plan S, and frameworks used by PLOS and Nature Research. The lab contributes metadata schemas that interface with Linked Open Data, Schema.org, and archival practices promoted by Digital Curation Centre. Training in reproducible workflows references ReproZip and Docker containerization, while publication strategies engage with arXiv, bioRxiv, and ChemRxiv preprint servers.

Impact and Recognition

NOMAD Laboratory's outputs inform policy discussions at European Parliament committees and technical reports for International Energy Agency and Intergovernmental Panel on Climate Change. Its datasets and software have won awards associated with European Research Council grants and recognition by Nature Index and Science Magazine highlights. Alumni have accepted positions at California Institute of Technology, ETH Zurich, Utrecht University, and have been recipients of fellowships like Marie Curie Fellowship and honors from Royal Society of Chemistry.

Category:Research laboratories