The following are Research Outputs from all resources supported since 2010 that have been reported to Research Computing staff. To list your publications, presentations, grants, awards, students graduated, etc, please contact Alex Pacheco Ryan Bradley.
Publications
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- Z. J. Knepp, L.A. Fredin, Real Temperature Model of Dynamic Disorder in Molecular Crystals. J. Phys. Chem A, (2022). doi: 10.1021/acs.jpca.2c02120
- K. Zhao, B. Duka, H. Xie, D. J. Oathes, V. Calhoun, and Y. Zhang, A dynamic graph convolutional neural network framework reveals new insights into connectome dysfunctions in ADHD. NeuroImage, 246: 118774 (2022). doi: 10.1016/j.neuroimage.2021.118774
- Z. Liu, C.E. Ekuma, W. Li, J. Yang, X. Li, ElasTool: An automated toolkit for elastic constants calculation. Computer Physics Communications, 270, 108180 (2022). ISSN 0010-4655, doi: 10.1016/j.cpc.2021.108180
Wei Sun, Keith Veenhuizen, Jacob Marsh, Volkmar Dierolf, Himanshu Jain, Determination of the structure of lithium niobosilicate glasses by molecular dynamics simulation with a new Nb-O potential. Computational Materials Science., 207, 111307 (2022) doi: 10.1016/j.commatsci.2022.111307
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