Q: I'd like to have a user ID for the NOMAD Repository that is more generic than the email address of my current employer. In particular, I'd like to have access to my data, also when my current email address is no longer valid.

A: Every upload should be connected to an official affiliation and email address. However, we understand that people may move to another institution or have more than one email address. Currently, one can change the affiliation. Soon, we will offer the possibility to add additional email addresses and affiliations to the same user account, and the previous address(es) will automatically become subordinate to the newest one. In case there is an urgent need for a faster change, please send an email, and we will help individually.

Q: It is often difficult to find calculations one is interested in. In some cases, there are more than 20 identical lines.

A: We have solved this problem by collapsing calculations with the same metadata such that they appear now as one line in the repository. We also tell, how many of such calculations exist. The respective data can be looked up and downloaded individually.

Q: I'd like to install a local version of the NOMAD Repository on my local computers to be only used by my group. There, I'd also like to store results from ongoing or intermediate calculations. When will the NOMAD software become available?

A: Free download of the NOMAD software will be possible. We currently develop a version that is dedicated to the organization of data within a research group. This NOMAD Oasis will be available soon

Q: How can I be sure that my data will be cited properly?

A: Sharing means a change of culture. Making data open access is comparable to a publication where references to other work are common practice ever since. Likewise, using someone's data requires proper citation. We recommend the uploaders to provide references to their data (publications, websites) and the users to cite these references together with the link to the repository.

Repository News

Materials Project raw data (input and output files) directly accessible via the MP webpage by a link to NOMAD ...more  

Currently, the NOMAD Repository contains 50,236,539 open access total-energy calculations.

New codes supported: BigDFT, CP2K, CPMD, DMol3, Elk, FLEUR, GPAW, MOLCAS, NWChem, octopus, ONETEP, ORCA, SIESTA, and TURBOMOLE

Upload from MedeA possible ... more