Publications

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Y. Luo, K. P. Esler, P. R. C. Kent, and L. Shulenburger., "An efficient hybrid orbital representation for quantum Monte Carlo calculations," he Journal of Chemical Physics, October 2018,  AIP Publishing, 2018 . doi: 10.1063/1.5037094 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
Yuri Alexeev, "ANL/ALCF -18/2 Evaluation of the Intel -QS performance on Theta supercomputer," Argonne National Laboratory - Leadership Computing Facility, May 2018,  2018
Sangmin Seo, Abdelhalim Amer, Pavan Balaji, Cyril Bordage, George Bosilca, Alex Brooks, Philip Carns, Adrian Castello, Damien Genet, Thomas Herault, Shintaro Iwasaki,Prateek Jindal, Laxmikant V. Kale, Sriram Krishnamoorthy, Jonathan Lifflander, Huiwei Lu, Esteban Meneses, Marc Snir, Yanhua Sun, Kenjiro Taura, and Pete Beckman, "Argobots: A Lightweight Low-Level Threading and Tasking Framework," IEEE Transactions on Parallel and Distributed Systems, March 2018,  vol. 29, no. 3, IEEE, 2018 , pp. 512-526, . doi: 10.1109/tpds.2017.2766062 view abstract
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 abstract
Nathanson, M.; Kanhaiya, K.; Pryor, A.; Miao, J.; Heinz, H., "Atomic-Scale Structure and Stress Release Mechanism in Core–Shell Nanoparticles," ACS Nano, November 2018,  vol. 12, no. 12, ACS, 2018 , pp. 12296-12304, . doi: 10.1021/acsnano.8b06118 view abstract
Wahyu Setyawan, Michael W. D. Cooper, Kenneth J. Roche, Richard J. Kurtz, Blas P. Uberuaga, David A. Andersson, Brian D. Wirth, "Atomistic Model of Xenon Gas Bubble Re-Solution Rate Due to Thermal Spike in Uranium Oxide," Journal of Applied Physics, August 2018,  vol. 124, no. 7, AIP Publishing, 2018 . doi: 10.1063/1.5042770 view abstract
M. Kostuk, T. D. Uram, T. Evans, D. M. Orlov, M. E. Papka, D. Schissel, "Automatic Between-Pulse Analysis of Diii-D Experimental Data Performed Remotely on a Supercomputer at Argonne Leadership Computing Facility," Journal Fusio Science and Technology, February 2018,  vol. 74, no. 1-2, Informa UK Limited, 2018 . doi: 10.1080/15361055.2017.1390388 view abstract
Alejandro Vaquero Avilés-Casco, Carleton DeTar, Daping Du, Aida El-Khadra, Andreas Kronfeld, John Laiho, Ruth S. Van de Water, "B → D∗Lν at Non-Zero Recoil," EPJ Web of Conferences, March 2018,  EDP Sciences, 2018 . doi: 10.1051/epjconf/201817513003 view abstract
S.K. Gharaei, M. Abbasnejad, R. Maezono, "Bandgap reduction of photocatalytic TiO2 nanotube by Cu doping," Science Reports, September 2018,  vol. 8, no. 14192, Springer Nature, 2018 . doi: 10.1038/s41598-018-32130-w view abstract
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 abstract
Hillary R. Fairbanks, Lluis Jofre, Gianluca Geraci, Gianluca Iaccarino, Alireza Doostan, "Bi-fidelity Approximation For Uncertainty Quantification And Sensitivity Analysis Of Irradiated Particle-laden Turbulence," Computational Physics, August 2018,  vol. I, Office of Scientific and Technical Information (OSTI), 2018 . doi: 10.2172/1463950 view abstract
M Asch,T Moore,R Badia,M Beck,P Beckman,T Bidot,F Bodin,F Cappello,A Choudhary,B de Supinski,E Deelman,J Dongarra,A Dubey,G Fox,H Fu,S Girona,W Gropp,M Heroux,Y Ishikawa,K Keahey,D Keyes,W Kramer,J-F Lavignon,Y Lu,S Matsuoka,B Mohr,D Reed,S Requena,J Saltz,T Schulthess,R Stevens,M Swany,A Szalay,W Tang,G Varoquaux,J-P Vilotte,R Wisniewski,Z Xu,I Zacharov, "Big Data and Extreme-Scale Computing,"  The International Journal of High Performance Computing Applications, July 2018,  vol. 32, no. 4, SAGE Publications, 2018 , pp. 435-479 , . doi: 10.1177/1094342018778123 view abstract
Yuzhi Liu,Jon A. Bailey,A. Bazavov,C. Bernard,C. M. Bouchard,C. DeTar,Daping Du,A. X. El-Khadra,E. D. Freeland,E. Gámiz,Z. Gelzer,Steven Gottlieb,U. M. Heller,A. S. Kronfeld,J. Laiho,P. B. Mackenzie,Y. Meurice,E. T. Neil,J. N. Simone,R. Sugar,D. Toussaint,R. S. Van de Water,Ran Zhou, "Bs → Kν Form Factors with 2+1 Flavors," EPJ Web of Conferences, March 2018,  vol. 175, EDP Sciences, 2018 . doi: 10.1051/epjconf/201817513008 view abstract
Chen, J.; Zhu, E.; Liu, J.; Zhang, S.; Lin, Z.; Duan, X.; Heinz, H.; Huang, Y.; De Yoreo, J. J., "Building two-dimensional materials one row at a time: Avoiding the nucleation barrier," Science, December 2018,  vol. 362, no. 6419, AAAS, 2018 , pp. 1135-1139, . doi: 10.1126/science.aau4146 view abstract
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 abstract
T. Blum, P. A. Boyle, V. Gülpers, T. Izubuchi, L. Jin, C. Jung, A. Jüttner, C. Lehner, A. Portelli, and J. T. Tsang, "Calculation of the Hadronic Vacuum Polarization Contribution to the Muon Anomalous Magnetic Moment," Physical Review Letters, July 2018,  American Physical Society, 2018 . doi: 10.1103/PhysRevLett.121.022003 view abstract
Wozniak JM, Jain R, Balaprakash P, Ozik J, Collier NT, Bauer J, Xia F, Brettin T, Stevens R, Mohd-Yusof J, Cardona CG, Essen BV, Baughman M, "CANDLE/Supervisor: a workflow framework for machine learning applied to cancer research," BMC Bioinformatics, December 2018,  vol. 19, no. 18, Springer Nature, 2018 , pp. 491, . doi: 10.1186/s12859-018-2508-4 view abstract
X. M. Zhai,Susan Kurien, "Characteristic length scales of strongly rotating Boussinesq flow in variable-aspect-ratio domains," Cambridge University Press (CUP), October 2018,  Cambridge University Press (CUP), 2018 . doi: 10.1017/jfm.2018.687 view abstract
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 abstract

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