Publications

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A. Ekström, G. Hagen, T. D. Morris, T. Papenbrock, P. D. Schwartz,, "Delta isobars and nuclear saturation," PHYSICAL REVIEW C, February 2018,  APS Physics, 2018 . doi: 10.1103/PhysRevC.97.024332 view
Lili Zhang, Qijing Zheng, Yu Xie, Zhenggang Lan, Oleg V. Prezhdo, Wissam A. Saidi, Jin Zhao, "Delocalized Impurity Phonon Induced Electron–Hole Recombination in Doped Semiconductors," NANO Letters, February 2018,  vol. 18, no. 3, ACS Publications, 2018 , pp. 1592-1599, . doi: 10.1021/acs.nanolett.7b03933 view
John X. Qiu, Hong-Jun Yoon, Paul A. Fearn, Georgia D. Tourassi , "Deep Learning for Automated Extraction of Primary Sites From Cancer Pathology Reports," IEEE Journal of Biomedical and Health Informatics , January 2018,  vol. 22, no. 1, IEEE, 2018 , pp. 244-251, . doi: 10.1109/JBHI.2017.2700722 view
Leistenschneider, E. and Reiter, M. P. and Ayet San Andr\'es, S. and Kootte, B. and Holt, J. D. and Navr\'atil, P. and Babcock, C. and Barbieri, C. and Barquest, B. R. and Bergmann, J. and Bollig, J. and Brunner, T. and Dunling, E. and Finlay, A. and Geissel, H. and Graham, L. and Greiner, F. and Hergert, H. and Hornung, C. and Jesch, C. and Klawitter, R. and Lan, Y. and Lascar, D. and Leach, K. G. and Lippert, W. and McKay, J. E. and Paul, S. F. and Schwenk, A. and Short, D. and Simonis, J. and Som\`a, V. and Steinbr\"ugge, R. and Stroberg, S. R. and Thompson, R. and Wieser, M. E. and Will, C. and Yavor, M. and Andreoiu, C. and Dickel, T. and Dillmann, I. and Gwinner, G. and Pla\ss{}, W. R. and Scheidenberger, C. and Kwiatkowski, A. A. and Dilling, J., "Dawning of the $N=32$ Shell Closure Seen through Precision Mass Measurements of Neutron-Rich Titanium Isotopes," Physical Review Letters, October 2018,  vol. 120, no. 6, American Physical Society, 2018 , pp. 062503, . doi: https://doi.org/10.1103/PhysRevLett.120.062503 view
J. M. Cole, "Data-Driven Molecular Engineering of Solar-Powered Windows," Computing in Science & Engineering, February 2018,  vol. 20, no. 1, IEEE, 2018 . doi: 10.1109/MCSE.2018.011111129 view
Alireza Yazdani, He Li, Matthew R. Bersi, Paolo Di Achille, Joseph Insley, Jay D. Humphrey, George Em Karniadakis , "Data-driven Modeling of Hemodynamics and its Role on Thrombus Size and Shape in Aortic Dissections," Nature - Scientific Reports, February 2018,  vol. 8, Springer Nature, 2018 , pp. 2515, view
Li H, Yang J, Chu TT, Naidu R, Lu L, Chandramohanadas R, Dao M, Karniadakis GE, "Cytoskeleton Remodeling Induces Membrane Stiffness and Stability Changes of Maturing Reticulocytes.," Biophysical Journal, April 2018,  vol. 114, no. 8, Science Direct, 2018 , pp. 2014-2023, . doi: 10.1016/j.bpj.2018.03.004 view
S. Hong, C. Sheng, A. Krishnamoorthy, P. Rajak, S. Tiwari, K. Nomura, M. Misawa, F. Shimojo, R. K. Kalia, A. Nakano, and P. Vashishta, "Chemical vapor deposition synthesis of MoS2 layers from the direct sulfidation of MoO3 surfaces using reactive molecular dynamics simulations,"  March 2018,  vol. 122 (13), pp 7494–7503, no. 122 (13), pp 7494–7503, The Journal of Physical Chemistry, 2018 , pp. 122 (13), pp 7494–7503, . doi: 10.1021/acs.jpcc.7b12035 view
Michael Scherbela, Lukas Hörmann, Andreas Jeindl, Veronika Obersteiner, and Oliver T. Hofmann, "Charting the energy landscape of metal/organic interfaces via machine learning," Physical Review Materials, April 2018,  vol. 2, no. 4, 2018 . doi: 10.1103/PhysRevMaterials.2.043803 view
Mansi S. Shah, Evgenii O. Fetisov, Michael Tsapatsis, J. Ilja Siepmann, "C2 adsorption in zeolites: in silico screening and sensitivity to molecular models ," Molecular Systems Design & Engineering, April 2018,  vol. 3, Royal Society of Chemistry, 2018 , pp. 619-626, . doi: 10.1039/C8ME00004B view
Suhwan Song, Min-Cheol Kim, Eunji Sim , Anouar Benali, Olle Heinonen, Kieron Burke, "Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes," Journal of Chemical Theory and Computation, April 2018,  vol. 14, no. 5, ACS Publications, 2018 , pp. 2304-2311, . doi: 10.1021/acs.jctc.7b01196 view
John R.Tramm, Kord S.Smith, Benoit Forget, Andrew R.Siegel, "ARRC: A random ray neutron transport code for nuclear reactor simulation," Annals of Nuclear Energy, February 2018,  vol. 112, Elsevier, 2018 , pp. 693-714, . doi: 10.1016/j.anucene.2017.10.015 view
Yuri Alexeev, "ANL/ALCF -18/2 Evaluation of the Intel -QS performance on Theta supercomputer," Argonne National Laboratory - Leadership Computing Facility, May 2018,  2018
Petersen, Mark, Asay-Davis, Xylar, Berres, Anne, Chen, Qingshan, Feige, Nils, Jacobsen, Douglas, … Woodring, Jonathan., "An evaluation of the ocean and sea ice climate of E3SM using MPAS and interannual CORE-II forcing," Journal of Advances in Modeling Earth Systems (JAMES), May 2018,  2018 . doi: 10.5281/zenodo.1194910 view
J. Taylor Childers,Thomas D. Uram,Doug Benjamin,Thomas J. LeCompte,Michael E. Papka, "An Edge Service for Managing HPC Workflows,"  February 2018,  ACM Press, 2018 . doi: 10.1145/3152493.3152557
Laura E Ratcliff, A Degomme, José A Flores-Livas, Stefan Goedecker, Luigi Genovese, "Affordable and accurate large-scale hybrid-functional calculations on GPU-accelerated supercomputers," Journal of Physics:Condensed Matter, February 2018,  vol. 30, no. 9, IOP Publishing, 2018 view
Lifei Zhao, Zhen Li, Bruce Caswell, Jie Ouyang, George Em Karniadakis, "Active learning of constitutive relation from mesoscopic dynamics for macroscopic modeling of non-Newtonian flows," Journal of Computational Physics, February 2018,  Elsevier, 2018 . doi: 10.1016/j.jcp.2018.02.039 view
I L Rakhno, N V Mokhov, I S Tropin, D Ene, "Activation assessment of the soil around the ESS accelerator tunnel," Journal of Physics, January 2018,  vol. 1046, no. 1, IOP Science, 2018 , pp. 012020, view
Walker, J., Merzari, E., Obabko, A., Fischer, P., & Siegel, A., "Accurate prediction of the wall shear stress in rod bundles with the spectral element method at high Reynolds numbers," International Journal of Heat and Fluid Flow, January 2018,  vol. 50, 2018 , pp. 287-299, . doi: 10.1016/j.ijheatfluidflow.2014.08.012 view
Peilong Lu, Duyoung Min, Frank DiMaio, Kathy Y. Wei, Michael D. Vahey, Scott E. Boyken, Zibo Chen, Jorge A. Fallas, George Ueda, William Sheffler, Vikram Khipple Mulligan, Wenqing Xu, James U. Bowie, David Baker, "Accurate computational design of multipass transmembrane proteins," Science, March 2018,  vol. 359, no. 6379, AAAS, 2018 , pp. 1042-1046, . doi: 10.1126/science.aaq1739 view

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