TY  - RPRT
TI  - pyRMG: A framework for high-throughput, large-cell DFT calculations on supercomputers
AU  - Morelock, Ryan [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000183688258)
AU  - Bagchi, Soumendu [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000203919835)
AU  - Briggs, Emil [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000343983492)
AU  - Lu, Wenchang [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000231050014)
AU  - Bernholc, Jerzy [North Carolina State University, Raleigh, NC (United States)] (ORCID:0000000299818851)
AU  - Ganesh, Panchapakesan [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)] (ORCID:0000000271702902)
PY  - 2026
DO  - 10.1063/5.0304566
UR  - https://www.osti.gov/biblio/3376495
ID  - 3376495
ER  -