Datasets
- 4 results
Search results
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CsPbBr_3 database for force field training underlying the publication: Tuning Einstein Oscillator Frequencies of Cation Rattlers: A Molecular Dynamics Study of the Lattice Thermal Conductivity of CsPbBr3
Bokdam, M. (Creator), Lahnsteiner, J. (Creator) & Rang, M. (Creator), 4TU.Centre for Research Data, 15 Dec 2023
DOI: 10.4121/02c647b6-c6cb-4e45-b7d5-287853152c47, https://data.4tu.nl/datasets/02c647b6-c6cb-4e45-b7d5-287853152c47 and one more link, https://data.4tu.nl/datasets/02c647b6-c6cb-4e45-b7d5-287853152c47/1 (show fewer)
Dataset
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Leveraging stochastic electronic structure methods at the exascale
Borda, E. L. (Creator), Abrusci, G. (Creator), Alavi, A. (Creator), Chilkuri, V. G. (Creator), Coppens, F. (Creator), Filippi, C. (Creator), Delval, A. (Creator), Hapka, M. (Creator), Hoffer, M. (Creator), Jalby, W. (Creator), Rios, P. L. (Creator), Nakano, K. (Creator), Castro, P. D. O. (Creator), Panades, R. (Creator), Pernal, K. (Creator), Posenitskiy, E. (Creator), Shinde, R. L. (Creator), Sokół, A. (Creator), Sorella, S. (Creator) & Scemama, A. (Creator), Zenodo, 23 Sept 2022
DOI: 10.5281/zenodo.7108146, https://zenodo.org/record/7108146
Dataset
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Championing stochastic electronic structure methods with CHAMP
Shinde, R. (Creator), Landinez, E. (Creator), Shepard, S. (Creator), Cuzzocrea, A. (Creator), Scemama, A. (Creator) & Filippi, C. (Creator), Zenodo, 15 Sept 2022
DOI: 10.5281/zenodo.7107334, https://zenodo.org/record/7107334
Dataset
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Minimalistic MAPbX3 database for force field training
Bokdam, M. (Creator), 4TU.Centre for Research Data, 25 Jun 2021
DOI: 10.4121/14710323, https://data.4tu.nl/articles/_/14710323 and 2 more links, https://doi.org/10.4121/14710323.v1, https://data.4tu.nl/articles/_/14710323/1 (show fewer)
Dataset