Publications

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Noemi Rocco, Winfried Leidemann, Alessandro Lovato, Giuseppina Orlandini, "Relativistic effects in ab-initio electron-nucleus scattering," PHYSICAL REVIEW C, May 2018,  APS Physics, 2018 . doi: 10.1103/PhysRevC.97.055501 view abstract
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 abstract
Hillary L. Child, Salman Habib, Katrin Heitmann, Nicholas Frontiere, Hal Finkel, Adrian Pope, and Vitali Morozov, "Halo Profiles and the Concentration–Mass Relation for a ΛCDM Universe," The Astrophysical Journal, May 2018,  vol. 859, no. 1, American Astronomical Society, 2018 . doi: 10.3847/1538-4357/aabf95 view abstract
Seonmyeong Bak, Harshitha Menon, Sam White, Matthias Diener, Laxmikant Kale , " Multi-Level Load Balancing with an Integrated Runtime Approach," 2018 18th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGRID), May 2018,  Washington, D.C., IEEE, 2018 . doi: 10.1109/CCGRID.2018.00018 view abstract
Houjun Tang, Suren Byna, Francois Tessier, Teng Wang, Bin Dong, Jingqing Mu, Quincey Koziol, Jerome Soumagne, Venkatram Vishwanath, Jialin Liu, Richard Warren , "Toward Scalable and Asynchronous Object-Cetric Data Management for HPC," 2018 18th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGRID) (2018), May 2018,  Washington, D.C., IEEE, 2018 , pp. 113-122, . doi: 10.1109/CCGRID.2018.00026 view abstract
O. Srihakulung, R. Maezono, P. Toochinda, W. Kongprawechnon, A. Intarapanich, L. Lawtrakul, "Host-Guest Interactions of Plumbagin with β-Cyclodextrin, Dimethyl-β-Cyclodextrin and Hydroxypropyl-β-Cyclodextrin: Semi-Empirical Quantum Mechanical PM6 and PM7 Methods," Sci. Pharm, May 2018,  vol. 86, no. 20, MDPI, 2018 . doi: 10.3390/scipharm86020020 view abstract
R. Kuriki, T. Ichibha, K. Hongo, D. Lu, R Maezono, H. Kageyama, O. Ishitani, K. Oka, K. Maeda, "A Stable, Narrow-Gap Oxyfluoride Photocatalyst for Visible-Light Hydrogen Evolution and Carbon Dioxide Reduction," Journal of the American Chemical Society, May 2018,  vol. 140, no. 21, ACS, 2018 , pp. 6648+6655, . doi: 10.1021/jacs.8b02822 view abstract
T. Oshima, T. Ichibha, K.S. Qin, K. Muraoka, J.J.M. Vequizo, K. Hibino, R. Kuriki, S. Yamashita, K. Hongo, T. Uchiyama, K. Fujii, D. Lu, R. Maezono, A. Yamakata, H Kato, K. Kimoto, M. Yashima, Y. Uchimoto, M. Kakihana, O. Ishitani, H. Kageyama, K. Maeda, "Undoped Layered Perovskite Oxynitride Li2LaTa2O6N for Photocatalytic CO2 Reduction with Visible Light ," Angewandte Chemie International Edition Banner, May 2018,  vol. 57, no. 27, Wiley Online, 2018 , pp. 8154-8158, . doi: 10.1002/anie.201803931 view abstract
Pryor, A.; Rana, A.; Xu, R.; Rodriguez, J. A.; Yang, Y. S.; Gallagher-Jones, M.; Jiang, H. D.; Kanhaiya, K.; Nathanson, M.; Park, J.; Kim, S.; Nam, D.; Yue, Y.; Fan, J. D.; Sun, Z. B.; Zhang, B. S.; Gardner, D. F.; Dias, C. S. B.; Joti, Y.; Hatsui, T.; Kameshima, T.; Inubushi, Y.; Tono, K.; Lee, J. Y.; Yabashi, M.; Song, C.; Ishikawa, T.; Kapteyn, H. C.; Murnane, M. M.; Heinz, H.; Miao, J. W., "Single-shot 3D coherent diffractive imaging of core-shell nanoparticles with elemental specificity," Scientific Reports, May 2018,  Springer Nature, 2018 , pp. 2045-2322, . doi: 10.1038/s41598-018-26182-1 view abstract
Liu, J.; Tennessen, E.; Miao, J.; Huang, Y.; Rondinelli, J. M.; Heinz, H., "Understanding Chemical Bonding in Alloys and the Representation in Atomistic Simulations," The Journal of Physical Chemistry C, May 2018,  vol. 122, no. 26, ACS, 2018 , pp. 14996-15009, . doi: 10.1021/acs.jpcc.8b01891 view abstract
Dongxiao Zhao, Hussein Aluie, "Inviscid criterion for decomposing scales," Physical Review Fluids, May 2018,  vol. 3, APS, 2018 , pp. 054603, . doi: 10.1103/PhysRevFluids.3.054603 view abstract
Timothy J. Williams, "Early Science on Theta," Computing in Science & Engineering, May 2018,  Institute of Electrical and Electronics Engineers (IEEE), 2018 . doi: 10.1109/mcse.2018.03202630 view abstract
Huihuo Zheng, Hitesh J. Changlani, Kiel T. Williams, Brian Busemeyer and Lucas K. Wagner, "From Real Materials to Model Hamiltonians With Density Matrix Downfolding," Frontiers in Physics, May 2018,  vol. 6, Frontiers Media SA, 2018 . doi: 10.3389/fphy.2018.00043 view abstract
Rajkumar Kettimuthu, Zhengchun Liu, David Wheeler, Ian Foster, Katrin Heitmann, Franck Cappello, "Transferring a Petabyte in a Day," Future Generation Computer Systems., May 2018,  vol. 88, ELSEVIER, 2018 , pp. 191-198, . doi: 10.1016/j.future.2018.05.051 view abstract
Xiaopeng Wang, Xingyu Liu, Cameron Cook, Bohdan Schatschneider, Noa Marom, "On the Possibility of Singlet Fission in Crystalline Quaterrylene," The Journal of Chemical Physics, May 2018,  vol. 148, no. 18, AIP Publishing, 2018 . doi: 10.1063/1.5027553 view abstract
Fan Yang, Andrew A. Chien, "Large-Scale and Extreme-Scale Computing with Stranded Green Power: Opportunities and Costs," IEEE Transactions on Parallel and Distributed Systems, May 2018,  vol. 29, no. 5, IEEE, 2018 , pp. 1103-1116, . doi: 10.1109/tpds.2017.2782677 view abstract
Sofiane Bourouaine, Jean C. Perez, "On the Limitations of Taylor’s Hypothesis in Parker Solar Probe’s Measurements near the Alfvén Critical Point," The Astrophysical Journal Letters, May 2018,  vol. 858, American Astronomical Society, 2018 , pp. 1-5, . doi: 10.3847/2041-8213/aabccf view abstract
Alex P. Gaiduk, Jeffrey Gustafson, François Gygi, Giulia Galli, "First-Principles Simulations of Liquid Water Using a Dielectric-Dependent Hybrid Functional," The Journal of Physical Chemistry Letters, May 2018,  vol. 9, no. 11, American Chemical Society (ACS), 2018 , pp. 3068–3073, . doi: 10.1021/acs.jpclett.8b01017 view abstract
S. V. Chekanova, J. T. Childersa, J. Proudfoota, R. Wanga, D. Frizzellb , "Precision searches in dijets at the HL-LHC and HE-LHC," Journal of Instrumentation, May 2018,  vol. 13, IOP Publishing, 2018 . doi: 10.1088/1748-0221/13/05/p05022 view abstract
D. Regnier, N. Dubray, M. Verrière, N. Schunck, "FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation," ScienceDirect, April 2018,  vol. Volume 225, ScienceDirect, 2018 , pp. 180-191, . doi: 10.1016/j.cpc.2017.12.007 view abstract

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