Peng Bai, Mi Young Jeon, Limin Ren, Chris Knight, Michael W. Deem, Michael Tsapatsis, J. Ilja Siepmann, "Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling," Nature Communications, January 2015,  no. 5912, Nature Publishing Group, 2015 . doi: 10.1038/ncomms6912 view
Anke Peguiron, Lucio Colombi Ciacchi, Alessandro De Vita, James R. Kermode, Gianpietro Moras, "Accuracy of buffered-force QM/MM simulations of silica," AIP | The Journal of Chemical Physics, January 2015,  vol. 142, AIP Publishing, 2015 . doi: 10.1063/1.4907786 view
Wei Zhang, Olivier Tardieu, David Grove, Benjamin Herta, Tomio Kamada, Vijay Saraswat, Mikio Takeuchi, " GLB: lifeline-based global load balancing library in x10," Proceeding PPAA '14 Proceedings of the first workshop on Parallel programming for analytics applications , January 2015,  2015 , pp. 31-40, . doi: 10.1145/2567634.2567639 view
Youssef S. G. Nashed, David J. Vine, Tom Peterka, Junjing Deng, Rob Ross, Chris Jacobsen, "Parallel ptychographic reconstruction," Optics InfoBase-Optics Express, January 2015,  vol. 22, no. 26, 2015 , pp. 32082-32097, . doi: 10.1364/OE.22.032082 view
Marco Govoni, Giulia Galli, "Large scale GW calculations," JCTC: Journal of Chemical Theory and Computation, January 2015,  ACS Publications, 2015 . doi: 10.1021/ct500958p view
Sean M. Couch, Christian D. Ott, "THE ROLE OF TURBULENCE IN NEUTRINO-DRIVEN CORE-COLLAPSE SUPERNOVA EXPLOSIONS ," The Astrophysical Journal, January 2015,  vol. 799, no. 1, IOP Publishing, 2015 . doi: 10.1088/0004-637X/799/1/5 view
Paris Perdikaris, Leopold Grinberg, George Em. Karniadakis , "An Effective Fractal-Tree Closure Model for Simulating Blood Flow in Large Arterial Networks," Annals of Biomedical Engineering, December 2014,  Springer Link, 2014 . doi: 10.1007/s10439-014-1221-3 view
T Faney, B.D. Wirth, " Spatially dependent cluster dynamics modeling of microstructure evolution in low energy helium irradiated tungsten ," Modelling and Simulation in Materials Science and Engineering, December 2014,  vol. 22, no. 065010, IOP Publishing, 2014 . doi: 10.1088/0965-0393/22/6/065010 view
Sharifzadeh, Sahar and Wong, Cathy Y. and Wu, Hao and Cotts, Benjamin L. and Kronik, Leeor and Ginsberg, Naomi S. and Neaton, Jeffrey B, "Relating the Physical Structure and Optoelectronic Function of Crystalline TIPS-Pentacene," Advanced Functional Materials, December 2014,  John Wiley & Sons, Inc., 2014 . doi: 10.1002/adfm.201403005 view
Edgar Solomonik, Devin Matthews, Jeff R. Hammond, John F. Stanton, James Demmel, "A massively parallel tensor contraction framework for coupled-cluster computations," Journal of Parallel and Distributed Computing, December 2014,  vol. 74, no. 12, Elsevier B.V., 2014 , pp. 3176-3190, . doi: 10.1016/j.jpdc.2014.06.002 view
Juan A. Sillero, Javier Jiménez, Robert D. Moser, "One-point statistics for turbulent wall-bounded flows at Reynolds numbers up to δ+ ≈ 2000," AIP | Physics of Fluids, December 2014,  vol. 25, no. 10, AIP Publishing, 2014 . doi: 10.1063/1.4823831 view
Juan A. Sillero), Javier Jiménez, Robert D. Moser, "Two-point statistics for turbulent boundary layers and channels at Reynolds numbers up to δ+ ≈ 2000," AIP-Physics of Fluids, December 2014,  vol. 26, no. 10, AIP Publishing, 2014 . doi: 10.1063/1.4899259 view
Nathan V. Roberts, "Camellia: A software framework for discontinuous Petrov–Galerkin methods," Computers & Mathematics with Applications, December 2014,  vol. 68, no. 11, Elsevier B.V., 2014 , pp. 1581-1604, . doi: 10.1016/j.camwa.2014.08.010 view
Álvaro Vázquez–Mayagoitia, W. Scott Thornton, Jeff R. Hammond, Robert J. Harrison, "Chapter One – Quantum Chemistry Methods with Multiwavelet Bases on Massive Parallel Computers," Annual Reports in Computational Chemistry, December 2014,  vol. 10, Elsevier B.V., 2014 , pp. 3-24, . doi: 10.1016/B978-0-444-63378-1.00001-X view
Nicholas Horelik, Andrew Siegel, Benoit Forget, Kord Smith, "Monte Carlo domain decomposition for robust nuclear reactor analysis," Parallel Computing, December 2014,  vol. 40, no. 10, Elsevier B.V., 2014 , pp. 646-660, . doi: 10.1016/j.parco.2014.10.001 view
Yao Zhang, Prasanna Balaprakash, Jiayuan Meng, Vitali Morozov, Scott Parker, Kalyan Kumaran, "Raexplore: Enabling Rapid, Automated Architecture Exploration for Full Applications," Argonne Leadership Computing Facility, December 2014,  2014
Rasquin, M.Smith, C. Chitale, K. Seol, E.S. Matthews, B.A. Martin, J.L. Sahni, O. Loy, R.M. Shephard, M.S. Jansen, K.E., "Scalable Implicit Flow Solver for Realistic Wing Simulations with Flow Control ," Computing in Science & Engineering , November 2014,  vol. 16, no. 6, IEEE Explore, 2014 , pp. 13-21, . doi: 10.1109/MCSE.2014.75 view
Amirreza Saghafian, Lee Shunn, David A. Philips, Frank Ham, "Large eddy simulations of the HIFiRE scramjet using a compressible flamelet/progress variable approach," Proceedings of the Combustion Institute, November 2014,  Elsevier B.V., 2014 . doi: 10.1016/j.proci.2014.10.004 view
Nomura, Ken-ichi, Kalia, Rajiv K., Nakano, Aiichiro, Vashishta, Priya, Shimamura, Kohei, Shimojo, Fuyuki, Kunaseth, Manaschai, Messina, Paul C., Romero, Nichols A., "Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-demand," Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, November 2014,  New Orleans, Louisana, IEEE Explore, 2014 , pp. 661-673, . doi: 10.1109/SC.2014.59 view
Dawson, William, Gygi, Francois, "Optimized Scheduling Strategies for Hybrid Density Functional theory Electronic Structure Calculations," High Performance Computing, Networking, Storage and Analysis, SC14: International Conference for , November 2014,  New Orleans, Louisana, IEEE Explore, 2014 , pp. 685-692, . doi: 10.1109/SC.2014.61 view