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title2022
  1. 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
  2. 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

  3. 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. (under revision)


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title2021
  1. G. Repa, L. A. Fredin, "Parameter Space Exploration Reveals Interesting Mn-doped SrTiO3 Structures", Phys. Chem. Chem. Phys, 23, 23486 (2021), doi: 10.1039/D1CP02417E
  2. S. M. Martin, A. N. Oldacre, C. A. Pointer, T. Huang, G. Repa, L. A.  Fredin, and E. R. Young, "Proton-controlled Non-exponential Photoluminescence in a Pyridyl-Amidine-substituted Re(I) complex", Dalton Transactions, 50, 7265 (2021). doi: 10.1039/D1DT01132D
  3. P. Schwarzenberg*, T. Ren*, K. Klein, B. von Rechenberg, S. Darwiche, and H. L. Dailey, "Domain-Independent Simulation of Physiologically Relevant Callus Shape in Mechanoregulated Models of Fracture Healing", Journal of Biomechanics, 118, 110300 (2021). PMID: 33601180 doi: 10.1016/j.jbiomech.2021.110300 (*equal contribution)
  4. P. Schwarzenberg, K. Klein, S. J. Ferguson, B. von Rechenberg, S. Darwiche, and H. L. Dailey, " Virtual Mechanical Tests Out-Perform Morphometric Measures for Assessment of Mechanical Stability of Fracture Healing In Vivo", Journal of Orthopaedic Research, 39(4), 727 (2021). PMID: 32970350 doi: 10.1002/jor.24866
  5. D. Holz, R. A. Hall, E.  Usukura, S. Yamashiro, N. Watanabe, and D. Vavylonis, "A mechanism with severing near barbed ends and annealing explains structure and dynamics of dendritic actin networks", 2021 (pending revisions for eLife) bioRxiv doi: 10.1101/2021.03.31.437985 
  6. D. M. Rutkowski and D. Vavylonis, "Discrete mechanical model of lamellipodial actin network implements molecular clutch mechanism and generates arcs and microspikes", 2021, PLOS Comp. Biol., accepted, bioRxiv doi: 10.1371/journal.pcbi.1009506 
  7. T. Litschel, C. F. Kelley, D. Holz, M. Adeli Koudehi, S. Kenjiro Vogel, L. Burbaum, N. Mizuno, D. Vavylonis, and  P. Schwille, "Reconstitution of Contractile Actomyosin Rings in Vesicles," Nature Communications 12, 2254 (2021) doi: 10.1038/s41467-021-22422-7
  8. A. Venzie, A. Portoff, C. Fares, M. Stavola, W. B. Fowler, F. Ren, and Stephen J. Pearton,  "OH-Si complex in hydrogenated n-type β-Ga2O3:Si", Appl. Phys. Lett. 119, 062109 (2021). doi: 10.1063/5.0059769
  9. Y. Fan, X. Tian, X. Yang, X. Li, C. Webster, and Y. Yu, "An asymptotically compatible probabilistic collocation method for randomly heterogeneous nonlocal problems", Submitted (2021).
  10. H. You, Y. Yu, S. Silling, and M. D’Elia, "A data-driven peridynamic continuum model for upscaling molecular dynamics", Preprint  arXiv:2108.04883 [cond-mat.mtrl-sci] (2021).
  11. H. You, Y. Yu, M. DÉlia, T. Gao, and S. Silling, "Nonlocal kernel network (NKN): a stable and resolution-independent deep neural network", Under Review (2021).
  12. M. Foss, P. Radu, Y. Yu, "Convergence analysis and numerical studies for linearly elastic peridynamics with dirichlet-type boundary conditions", arXiv preprint arXiv:2106.13878 [math.AP] (2021).
  13. M. DÉlia, and Y. Yu, "On the prescription of boundary conditions for nonlocal poisson’s and peridynamics models", arXiv preprint arXiv:2107.04450  [math.NA] (2021).
  14. H. You, Y. Yu, N. Trask, M. Gulian, M. D’Elia, "Data-driven learning of nonlocal physics from high fidelity synthetic data", Computer Methods in Applied Mechanics and Engineering 374, 113553 (2021). doi: 10.1016/j.cma.2020.113553
  15. B. N. Ezealigo, and C. E. Ekuma, "Influence of vacancy defect on the structural and optical properties of hexagonal barium titanate ceramics: Experimental and theoretical analysis", Materials Letters, 304, 130582 (2021) doi: 10.1016/j.matlet.2021.130582
  16. Lalrinkima,  C. E. Ekuma, T. C. Chibueze, L. A. Fomin, I. V. Malikov, L. Zadeng, and D. P. Rai, "Electronic, magnetic, vibrational, and X-ray spectroscopy of inverse full-Heusler Fe2IrSi alloy", Phys. Chem. Chem. Phys., 23, 11876 (2021) doi: 10.1039/D1CP00418B
  17. R.M. Obodo, T. C. Chibueze, I. Ahmad, C. E. Ekuma, A. T. Raji, M. Maaza, and F. I. Ezema, "Effects of copper ion irradiation on CuyZn1−2y−xMny/GOCuyZn1−2y−xMny/GO supercapacitive electrodes". J Appl Electrochem, 51, 829–845 (2021). doi: 10.1007/s10800-021-01543-3
  18. K. J. Fisher, R. C. Vignogna, and G. I. Lang, "Overdominant Mutations Restrict Adaptive Loss of Heterozygosity at Linked Loci", Genome Biol Evol., 13(8), evab181 (2021) doi: 10.1093/gbe/evab181. PMID: 34363476
  19. R. C. Vignogna, S. W. Buskirk, and G. I. Lang GI. "Exploring a local genetic interaction network using evolutionary replay experiments", Mol Biol Evol., 38(8), 3144–3152(2021). doi: 10.1093/molbev/msab087. PMID: 33749796
  20. M. Razizadeh, M. Nikfar, and Y. Liu, “Small molecule therapeutics to destabilize the ACE2-RBD complex: A molecular dynamics study,” Biophysical Journal, 120 (14), 2793–2804 (2021), doi: 10.1016/J.BPJ.2021.06.016
  21. Y. Zhang, W. Wu, R. Toll, S. Naparstek, A. Maron-Katz, M. Watts, J. Gordon, J. Jeong, L. Astolfi, E. Shpigel, P. Longwell, K. Sarhadi, D. EI-Said, Y. Li, C. Cooper, C. Chin-Fatt, M. Arns, M. Goodkind, M. Trivedi, C. Marmar, and A. Etkin, "Identification of psychiatric disorder subtypes from functional connectivity patterns in resting-state electroencephalography", Nature Biomedical Engineering, 5: 309-323 (2021) doi: 10.1038/s41551-020-00614-8
  22. Y. Zhang, H. Zhang, E. Adeli, X. Chen, M. Liu, and D. Shen. "Multiview feature learning with multiatlas based functional connectivity networks for MCI diagnosis", IEEE Transactions on Cybernetics, 2021, Accepted. doi: 10.1109/TCYB.2020.3016953
  23. Y. Zhang, T. Zhou, W. Wu, H. Xie, H. Zhu, G. Zhou, A. Cichocki, "Improving EEG decoding via clustering-based multi-task feature learning". IEEE Transactions on Neural Networks and Learning Systems, 2021, Accepted. doi: 10.1109/TNNLS.2021.3053576

  24. P. M. Wilson, M. L. Chin, C. E. Ekuma, S. Najmaei, K. M. Price, T. Schiros, and J. Hone, "Chlorine-mediated atomic layer deposition of HfO2 on graphene". J. Mater. Chem. C, 9, 17437-17443 (2021). doi:10.1039/D1TC03502A

  25. J. Munshi, A. Roy, S. Hansen, C.E. Ekuma, and G. Balasubramanian, "Effect of vacancy defects on the thermal transport of β-Ga2O3", Molecular Simulation, 47(12), 1017–1021 (2021). doi:10.1080/08927022.2021.1941943

  26. Wei Sun, Volkmar Dierolf, Himanshu Jain. Molecular dynamics simulation of the effect of cooling rate on the structure and properties of lithium disilicate glass. Journal of Non-Crystalline Solids. 569, 120991 (2021)

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