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Dataset for "A new generation of effective core potentials: selected lanthanides and heavy elements"
Zhou, Haihan;
Kincaid, Benjamin E.;
Wang, Guangming;
Annaberdiyev, Abdulgani;
Ganesh, Panchapakesan;
Mitas, Lubos
Dataset for the article "Enhanced Twist-Averaging Technique for Magnetic Metals: Applications using Quantum Monte Carlo".
Annaberdiyev, Abdulgani;
Ganesh, Panchapakesan;
Krogel, Jaron T.
The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6 using correlated methods
Annaberdiyev, Abdulgani;
Mitas, Lubos;
Krogel, Jaron T.;
Ganesh, Panchapakesan
Benchmark AFLOW Data Sets for Machine Learning (All)
Clement, Conrad L.;
Kauwe, Steven K.;
Sparks, Taylor D.
CIF files of isolated nanothreads formed by furan and thiophene derivatives
Reynoso, Andrew;
Xu, Bohan;
Crespi, Vincent H.
Exchange-Driven Intermixing of Bulk and Topological Surface States by Chiral Excitons in Bi2Se3
Hou, Bowen;
Wang, Dan;
Barker, Bradford A.;
Qiu, Diana Y.
Control of lithium salt partitioning, coordination, and solvation in vitrimer electrolytes
Jang, Seongon;
Alvarez, Erick I. Hernandez;
Chen, Chen;
Jing, Brian B.;
Shen, Chengtian;
Braun, Paul V.;
Schleife, André;
Schroeder, Charles M.;
Evans, Christopher M.
Identifying native point defect configurations in α-alumina
Kononov, Alina;
Lee, Cheng-Wei;
Shapera, Ethan;
Schleife, Andre
Dataset for Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources
Ward, Logan;
Pauloski, J. Gregory;
Hayot-Sasson, Valerie;
Chard, Ryan;
Babuji, Yadu;
Sivaraman, Ganesh;
Choudhury, Sutanay;
Chard, Kyle;
Thakur, Rajeev;
Foster, Ian
Accelerating Crystal Structure Prediction of Organic Salts via Machine Learning
Shapera, Ethan P.;
Bucar, Dejan-Kresimir;
Prasankumar, Rohit P.;
Heil, Christoph