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 abstract
Brad Peterson, Alan Humphrey, John Holmen, Todd Harman, Martin Berzins, Dan Sunderland, H. Carter Edwards, "Demonstrating Gpu Code Portability and Scalability for Radiative Heat Transfer Computations," Journal of Computational Science, July 2018,  vol. 27, ELSEVIER, 2018 , pp. 303-319, . doi: 10.1016/j.jocs.2018.06.005 view abstract
Billy K. Poon, Aaron S. Brewster, Nicholas K. Sauter, "Deploying cctbx.xfel in Cloud Computing and High Performance Computing Environments," Computational Crystallography Newsletter , March 2018,  no. 8, Computational Crystallography , 2018 , pp. 10-19, view abstract
Christopher B. Cooper, Edward J. Beard, Álvaro Vázquez‐Mayagoitia, Liliana Stan, Gavin B. G. Stenning, Daniel W. Nye, Julian A. Vigil, Tina Tomar, Jingwen Jia, Govardhana B. Bodedla, Song Chen, Lucía Gallego, Santiago Franco, Antonio Carella, K. R. Justin Thomas, Song Xue, Xunjin Zhu, Jacqueline M. Cole, "Design‐to‐Device Approach Affords Panchromatic Co‐Sensitized Solar Cells," Advanced Energy Materials, December 2018,  no. 1802820, Wiley Online Library, 2018 . doi: 10.1002/aenm.201802820 view abstract
K. Asami, J. Ueda, K. Yasuda, K. Hongo, R. Maezono, M.G. Brik, S. Tanabe, "Development of persistent phosphor of Eu2+ doped Ba2SiO4 by Er3+ codoping based on vacuum referred binding energy diagram," Optical Materials, October 2018,  vol. 84, Elsevier, 2018 , pp. 436-441, . doi: 10.1016/j.optmat.2018.07.021 view abstract
Beibei Wang, Rajiv K. Kalia, Aiichiro Nakano, Priya D. Vashishta , "Dewetting of monolayer water and isopropanol between MoS2 nanosheets," Scientific Reports, November 2018,  Nature, 2018 . doi: 10.1038/s41598-018-35163-3 view abstract
J. Fang, J.J. Cambareri, C.S. Brown, J. Feng, A. Gouws, M. Li, I.A. Bolotnov, "Direct Numerical Simulation of Reactor Two-Phase Flows Enabled by High-Performance Computing," Nuclear Engineering and Design, April 2018,  vol. 330, no. na, Science Direct, 2018 , pp. 409-419, . doi: 10.1016 view abstract
C. Ruyer and F. Fiuza, "Disruption of Current Filaments and Isotropization of the Magnetic Field in Counterstreaming Plasmas," Physical Review Letters, June 2018,  American Physical Society, 2018 . doi: 10.1103/PhysRevLett.120.245002 view abstract
Philip J. Whiteman, Jeremy F. Schultz, Zachary D. Porach, Hanning Chen, and Nan Jiang, "Dual Binding Configurations of Subphthalocyanine on Ag(100) Substrate Characterized by Scanning Tunneling Microscopy, Tip-Enhanced Raman Spectroscopy, and Density Functional Theory," The Journal of Physical Chemistry C, February 2018,  vol. 122, no. 10, ACS, 2018 , pp. 5489-5495, . doi: 10.1021/acs.jpcc.7b12068 view abstract
Keke Zhai, Tania Banerjee, David Zwick, Jason Hacki, Sanjay Ranka, "Dynamic Load Balancing for Compressible Multiphase Turbulence," Proceedings of the 2018 International Conference on Supercomputing, June 2018,  ACM, 2018 . doi: 10.1145/3205289.3205304 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
Jinyong Feng, Igor A.Bolotnov, "Effect of the wall presence on the bubble interfacial forces in a shear flow field," International Journal of Multiphase Flow, February 2018,  vol. 99, Elsevier, 2018 , pp. 73-85, . doi: 10.1016/j.ijmultiphaseflow.2017.10.004 view abstract
Wissam A. Saidi, Ali Kachmar, "Effects of Electron–Phonon Coupling on Electronic Properties of Methylammonium Lead Iodide Perovskites," The Journal of Physical Chemistry Letters, December 2018,  ACS Publications, 2018 . doi: 10.1021/acs.jpclett.8b03164 view abstract
E. P. Alves, J. Zrake, and F. Fiuza, "Efficient Nonthermal Particle Acceleration by the Kink Instability in Relativistic Jets," Physical Review Letters, December 2018,  American Physical Society, 2018 . doi: 10.1103/PhysRevLett.121.245101 view abstract
Dillon Frame, Rongzheng He, Ilse Ipsen, Daniel Lee, Dean Lee, Ermal Rrapaj, "Eigenvector Continuation with Subspace Learning," Physical Review Letters, July 2018,  vol. 121, no. 3, American Physical Society, 2018 , pp. 032501, . doi: 10.1103/PhysRevLett.121.032501 view abstract
Alex P. Gaiduk, Tuan Anh Pham, Marco Govoni, Francesco Paesan, Giulia Galli, "Electron affinity of liquid water," Nature Communications, January 2018,  Springer Nature, 2018 . doi: 10.1038/s41467-017-02673-z view abstract
Bassman, L., Krishnamoorthy, A., Kumazoe, H., Misawa, M., Shimojo, F., Kalia, R. K., … Vashishta, P., "Electronic Origin of Optically-Induced Sub-Picosecond Lattice Dynamics in MoSe2 Monolayer," Nano Letters, July 2018,  vol. 18, no. 8, 2018 , pp. 4653–4658, . doi: 10.1021/acs.nanolett.8b00474 view abstract
Cheng-Wei Lee, André Schleife, "Electronic stopping and proton dynamics in InP, GaP, and In0.5Ga0.5P from first principles," The European Physical Journal B, October 2018,  2018 . doi: https://doi.org/10.1140/epjb/e2018-90204-8 view abstract
Nils E. R. Zimmermann, Daniel C. Hannah, Ziqin Rong, Miao Liu, Gerbrand Ceder, Maciej Haranczyk, Kristin A. Persson, "Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models," The Journal of Physical Chemistry Letters, January 2018,  vol. 9, no. 3, American Chemical Society (ACS), 2018 , pp. 628–634, . doi: 10.1021/acs.jpclett.7b03199 view abstract
V. W. Yu, F. Corsetti, A. Garcia, W. P. Huhn, M. Jacquelin, W. Jia, B. Lange, L. Lin, J. Lu, W. Mi, A. Seifitokaldani, A. Vazquez-Mayagoitia, C. Yang, H. Yang, V. Blum, "ELSI: A unified software interface for Kohn–Sham electronic structure solvers," Computer Physics Communications, January 2018,  vol. 222, 2018 , pp. 267-285, . doi: 10.1016/j.cpc.2017.09.007 view abstract

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