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Results 1-7 of 7
Issue DateTitleAuthor(s)
21-Jun-2018Dataset for "Quantum Monte Carlo calculations of catalytic energy barriers in a metallorganic framework with transition-metal functionalized nodes"Benali, Anouar; Luo, Ye; Shin, Hyeondeok; Pahls, Dale; Heinonen, Olle
21-Jun-2018Dataset for Zirconia and hafnia polymorphs -- ground state structural properties from diffusion Monte CarloShin, Hyeondeok; Benali, Anouar; Luo, Ye; Crabb, Emily; Lopez-Bezanilla, Alejandro; Ratcliff, Laura E.; Jokisaari, Andrea M.; Heinonen, Olle
25-Apr-2018Dataset for A Variational Approach to Optical Band GapsZhao, Luning; Neuscamman, Eric
21-Jun-2018Dataset for Nanoscale Control of Oxygen Defects and Metal−Insulator Transition in Epitaxial Vanadium DioxidesSharma, Yogesh; Balachandran, Janakiraman; Sohn, Changhee; Krogel, Jaron T.; Ganesh, Panchapakesan; Collins, Liam; Ievlev, Anton V.; Li, Qian; Gao, Xiang; Balke, Nina; Ovchinnikova, Olga S.; Kalinin, Sergei V.; Heinonen, Olle; Lee, Ho Nyung
19-Jul-2018Dataset for An efficient hybrid orbital representation for quantum Monte Carlo calculationsLuo, Ye; Esler, Kenneth P.; Kent, Paul R. C.; Shulenburger, Luke
15-Oct-2018Dateset for "Auxiliary-field quantum Monte Carlo calculations of the structural properties of nickel oxide"Zhang, Shuai; Malone, Fionn D.; Morales, Miguel A.
21-Nov-2018Data for Overcoming the Overcoming the Memory Bottleneck in Auxiliary Field Quantum Monte Carlo Simulations with Interpolative Separable Density FittingMalone, Fionn D.; Shuai, Zhang; Miguel, Morales. A
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