QMC and DFT of 1T-VSe22
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https://figshare.com/articles/dataset/QMC_and_DFT_of_1T-VSe_sub_2_sub_sub_2_sub_/28127477
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Associated data for the manuscript, "A combined Quantum Monte Carlo and DFT study of the strain response and magnetic properties of two-dimensional (2D) 1T-VSe2 with charge density wave states" by Daniel Wines, Akram Ibrahim, Nishwanth Gudibandla, Tehseen Adel, Frank M Abel, Sharadh Jois, Kayahan Saritas, Jaron T Krogel, Li Yin, Tom Berlijn, Aubrey T Hanbicki, Gregory M Stephen, Adam L Friedman, Sergiy Krylyuk, Albert Davydov, Brian Donovan, Michelle E Jamer, Angela R Hight Walker, Kamal Choudhary, Francesca Tavazza, Can Ataca.https://doi.org/10.48550/arXiv.2409.19082Data includes raw DFT calculations, geometries, and Nexus workflow scripts for QMCPACKFor additional inquiries: daniel.wines@nist.gov, ataca@umbc.edu
创建时间：
2025-01-02
