Getting Access to JHUMARCC (pdf download) Congratulations on your approved PARADIM proposal. This tutorial explains how to get access to the JHUMARCC highperformance computing center with an approved PARADIM proposal. If you do not have an approved project and are interested in submitting a twopage proposal, please use the link: https://www.paradim.org/project proposals. For technical assistance with your calculations consult the PARADIM theory tutorials, the PARADIM computation support forum, or reach out to our PARADIM theory staff.
MARCC is hosting training sessions for new users regularly. Please register at: For information about tutorials, tools, tricks, and tips that new MARCC users may find helpful, please visit: https://www.marcc.jhu.edu/training/tutorialseries/ 
Running Jobs at Computational Facilities (pdf download) This tutorial discusses, 1) how to submit jobs at JHUMARCC with a sample job submission file, 2) how to run interactive jobs at JHUMARCC, 3) useful commands related to job submission, 4) useful Linux commands, and 5) how to submit jobs at XSEDE with a sample job submission file.

Quantum Espresso (QE) is an integrated suite of OpenSource computer codes for electronicstructure calculations and materials modeling. It is based on densityfunctional theory, plane waves, and pseudopotentials. In this set of tutorials, you will learn how to run the essential calculations based on density functional theory as implemented in QE on JHUMARCC, a shared computing facility. You can practice running calculations in various listed topics starting with a test run.

YAMBO is a code for ManyBody calculations in solid state and molecular physics to accurately determine excited states. YAMBO relies on the KohnSham wavefunctions generated by DFT codes such as Quantum Espresso (QE). In this set of tutorials, you will first learn how to configure YAMBO with QE on JHUMARCC and then you can practice running a range of calculations covering various topics. Tutorials include ground state calculation, file conversion, quasiparticle GW band structure calculation, and the calculation of optical absorption spectra using the BetheSalpeter equation (BSE).

The SciServer PARADIM Data Collective (PDC) Cloud is a collaborative research platform for largescale datadriven science. SciServer includes tools and services to enable researchers to cope with Terabytes or Petabytes of scientific data without needing to download any large datasets. PARADIM users can run density functional theory (DFT) computational simulations and analyze microscopy data via inbuilt Jupyter notebook recipes. Focus of this tutorial is to show how users can login to the SciServer computing environment and launch Jupyter notebooks. For users new to Jupyter notebooks, this tutorial will show you how to create and test your first notebook. Through a series of notebook examples available on SciServer, you can then explore the capabilities of Jupyter notebooks with particular emphasis on topic relevant to PARADIM’s materials research.
