ACKNOWLEDGEMENTS: All work primarily or partially supported by the MRSEC grant MUST include the acknowledgement "This research was primarily (partially) supported by the NSF through the University of Illinois at Urbana-Champaign Materials Research Science and Engineering Center DMR-1720633." For research performed using MRSEC supported facilities (instrumental or computational), please include the following text: "The authors acknowledge the use of facilities and instrumentation supported by NSF through the University of Illinois at Urbana-Champaign Materials Research Science and Engineering Center DMR-1720633."

IRG1 Publications

J. Oh, L. Humbard, V. Humbert, J. Sklenar, and N. Mason, "Angular evolution of thickness-related unidirectional magnetoresistance in Co/Pt multilayers," AIP Advances 9, 045016 (2019). DOI:  10.1063/1.5079894

K. Kang, A. Kononov, C.-W. Lee, J. A. Leveillee, E. P. Shapera, X. Zhang, and A. Schleife, "Pushing the frontiers of modeling excited electronic states and dynamics to accelerate materials engineering and design," Computational Materials Science 160 207-216 (2019). DOI:  10.1016/j.commatsci.2019.01.004

Q. Zheng, G. Zhu, Z. Diao, D. Banerjee, and D. G. Cahill, "High contrast thermal conductivity change in Ni-Mn-In Heusler alloys near room temperature" Advanced Engineering Materials 1801342 (2019). DOI: 10.1002/adem.201801342

M. R. Hirsbrunner, T. M. Phillip, B. Basa, Y. Kim, M. J. Park, and M. J. Gilbert, "A review of modeling interacting transient phenomena with non-equilibrium Green functions," Reports on Progress in Physics 82 046001 (2019). DOI:

Y. Kim, K. Kang, A. Schleife, and M. Gilbert, "Voltage induced switching of an antiferromagnetically ordered topological Dirac semimetal," Physical Review B, 18 134415 (2018). DOI: 10.1103/PhysRevB.97.134415

Y. Kim, M. J. Park, D. G. Cahill, and M. J. Gilbert, "Impact of thermal fluctuations on transport in antiferromagnetic semimetals," Physical Review B 98, 024409 (2018) DOI: 10.1103/PhysRevB.98.024409

J. Sklenar, W. Zhang, M. Jungfleisch, and A. Hoffmann, "Unidirectional response in spin-torque driven magnetization dynamics," Proceedings of SPIE 10732 Spintronics XI, 1073212 (2018). DOI:  10.1117/12.2321259

IRG2 Publications

A. Moradzadeh and N. R. Aluru, "Transfer-learning-based coarse-graining method for simple fluids: toward deep inverse liquid-state theory," Journal of Physical Chemistry Letters, 10(6), 1242-1250 (2019). DOI: 10.1021/acs.jpclett.8b03872

J. G. Hinman, J. J. Hinman, B. E. Janicek, P. Y. Huang, K. S. Suslick, and C. J. Murphy, "Ultrasonic nebulization for TEM sample preparation on single-layer graphene grids," Nano Letters 19(3), 1938-1943 (2019). DOI:  10.1021/acs.nanolett.8b05117

E. Annevelink, E. Ertekin, and H. T. Johnson, "Grain boundary structure and migration in graphene via the displacement shift complete lattice," Acta Materialia 166 67-74 (2019). DOI:  10.1016/j.actamat.2018.12.030

M. H. Motevaselian, S. Y. Mashayak, and N. R. Aluru, "Extended coarse-grained dipole model for polar liquids: application to bulk and confined water," Physical Review E 98 052135 (2018). DOI:

S. Kim, J. Yu, and A. van der Zande, "Nano-electromechanical drumhead resonators from two-dimensional material bimorphs," Nano Letters 18(11) 6686-6698 (2018). DOI:  10.1021/acs.nanolett.8b01926

S. Y. Mashayak and N. Aluru, "A multiscale model for charge inversion in electric double layers," The Journal of Chemical Physics 148, 214102 (2018) DOI:  10.1063/1.5026975

S. Y. Mashayak, L. Miao, and N. R. Aluru, "Integral equation theory based direct and accelerated systematic coarse-graining approaches," The Journal of Chemical Physics 148, 214105 (2018). DOI:  10.1063/1.5020321

A. B. Farimani, M. Heiranian, and N. Aluru, "Identification of amino acids with sensitive nanoporous MoS2: towards machine learning-based prediction," npj 2D Materials and Applications 2(14) (2018). DOI:  10.1038/s41699-018-0060-8

Y. Zhang, M. Heiranian, B. Janicek, Z. Budrikis, S. Zapperi, P. Huang, H. Johnson, N. Aluru, J. Lyding, N. Mason, "Strain modulation of graphene by nanoscale substrate curvatures: a molecular view," Nano Letters, 18, 2098 (2018). DOI: 10/1021/acs.nanolett.8b00273

Y. Zhang, Y. Kim, M. Gilbert, and N. Mason, "Electronic transport in a two-dimensional superlattice engineered via self-assembled nanostructures," npj 2D Materials and Applications 2(31) (2018) DOI:  10.1038/s41699-018-0076-0

J. Son, J. Kwon, S. Kim, Y. Lv, J. Yu, J.-Y. Lee, Hu. Ryu, K. Watanabe, T. Taniguchi, R. Garrido-Mencho, N. Mason, E. Ertekin, P. Huang, G.-H. Lee, and A. van der Zande, "Atomically precise graphene etch stops for three dimensional integrated systems from two dimensional material heterostructures," Nature Communications 9 3988 (2018).  DOI:  10.1038/s41467-018-06524-3

J. H. Hinnefeld, S. T. Gill, and N. Mason, "Graphene transport mediated by micropatterned substrates," Applied Physics Letters, 112, 173504 (2018). DOI:  10.1063/1.5027577

A. Moradzadeh, M. Motevaselian, S. Mashayak, and N. Aluru, "Coarse-grained force field for imidazolium-based ionic liquids," Journal of Chemical Theory and Computation 14(6) 3252 (2018). DOI: 10.1021/acs.jctc.7b01293

Seeds and SuperSEED Publications

N. Schorr, J. Hui, and J. Rodríguez-López, "Electrocatalysis on ultra-thin 2D electrodes: new concepts and prospects for tailoring reactivity," Current Opinion in Electrochemistry 13 100-106 (2019). DOI:  10.1016/j.coelec.2018.11.003

Y. Zhou, K.-W. Hsiao, K. E. Regan, D. Kong, G. B. McKenna, R. M. Robertson-Anderson, and C. M. Schroeder, "Effect of molecular architecture on ring polymer dynamics in semidilute linear polymer solutions," Nature Communications 10, 1753 (2019). DOI: 10.1038/s41467-019-09627-7

E. Mohammadi, G. Qu, P. Kafle, S. Jung, J. Lee, and Y. Diao, "Design rules for dynamic-template-directed crystallization of conjugated polymers," Molecular Systems Design & Engineering (2019). DOI:  10.1039/C9ME00042A