Publications

Meng, Q., Humphrey, A., Schmidt, J., Berzins, M, "Investigating applications portability with the Uintah DAG-based runtime system on PetaScale supercomputers," Proceeding SC '13 Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis, September 2014,  no. 96, Salt Lake City, Utah, ACM, 2014 10.1145/2503210.250325 view
Li X, Peng Z, Lei H, Dao M, Karniadakis GE, "Probing red blood cell mechanics, rheology and dynamics with a two-component multi-scale model.," Philos Trans A Math Phys Eng Sci. , August 2014,  vol. 372, The Royal Society, 2014 10.1098/rsta.2013.0389 view
Lin Hua, Karl D. Hammondb, Brian D. Wirth, Dimitrios Maroudas, "Dynamics of small mobile helium clusters near tungsten surfaces," Surface Science, August 2014,  vol. 626, Elsevier B.V., 2014 , pp. L21-L25. 10.1016/j.susc.2014.03.020 view
D. Alfè, A. P. Bartók, G. Csányi, M. J. Gillan, "Communication: Energy benchmarking with quantum Monte Carlo for water nano-droplets and bulk liquid water," AIP The Journal of Chemical Physics, July 2014,  vol. 138, no. 221102, AIP Publishing, 2014 http://dx.doi.org/10.1063/1.4810882 view
Roberta P. Dias, Lin Li, Thereza A. Soares, Emil Alexov, "Modeling the electrostatic potential of asymmetric lipopolysaccharide membranes: The MEMPOT algorithm implemented in DelPhi," Computational Chemistry, May 2014,  vol. 35, no. 19, John Wiley & Sons, Inc., 2014 , pp. 1418-1429. 10.1002/jcc.23632 view
Amol Upadhye, Rahul Biswas, Adrian Pope, Katrin Heitmann, Salman Habib, Hal Finkel, Nicholas Frontiere , " Large-scale structure formation with massive neutrinos and dynamical dark energy ," Physical Review D, May 2014,  vol. 89, American Physical Society, 2014 http://dx.doi.org/10.1103/PhysRevD.89.103515 view
Download PDF Stephan Mohr, Laura E. Ratcliff, Paul Boulanger, Luigi Genovese, Damien Caliste, Thierry Deutsch, Stefan Goedecker1 , "Daubechies wavelets for linear scaling density functional theory," AIP The Journal of Chemical Physics, May 2014,  vol. 140, no. 20, AIP Publishing, 2014 view
T. Andrew Binkowski, Wei Jiang, Benoit Roux, Wayne F. Anderson, Andrzej Joachimiak, "Virtual High-Throughput Ligand Screening," Structural Genomics and Drug Discovery : Methods and Protocols, May 2014,  vol. 1140, Springer Science & Business Media, LLC, 2014 , pp. 251-261. 10.1007/978-1-4939-0354-2_19 view
Roberta P. Dias, Gabriel C. A. da Hora, Madeleine Ramstedt, Thereza A. Soares , "Outer Membrane Remodeling: The Structural Dynamics and Electrostatics of Rough Lipopolysaccharide Chemotypes," JCTC: Journal of Chemical Theory and Computation, May 2014,  vol. 10, no. 6, ACS Publications, 2014 , pp. 2488-2497. 10.1021/ct500075h view
Tianyu Jiang, Katherine J. Evans, Yi Deng, Xiquan Dong, "Intermediate frequency atmospheric disturbances: A dynamical bridge connecting western U.S. extreme precipitation with East Asian cold surges," Journal of Geophysicao Research, April 2014,  vol. 119, no. 7, John Wiley & Sons, Inc., 2014 , pp. 3723-3735. 10.1002/2013JD021209 view
S. R. Beane, S. D. Cohen, W. Detmold, H.-W. Lin, M. J. Savage , "Nuclear σ terms and scalar-isoscalar WIMP-nucleus interactions from lattice QCD ," Physical Review D, April 2014,  vol. 89, American Physical Society, 2014 http://dx.doi.org/10.1103/PhysRevD.89.074505 view
Daniela Nadvorny, João Bosco P. da Silva, Roberto D. Lins , "Anionic Form of Usnic Acid Promotes Lamellar to Nonlamellar Transition in DPPC and DOPC Membranes," The Journal of Physical Chemistry B, March 2014,  vol. 118, no. 14, ACS Publications, 2014 , pp. 3881-3886. 10.1021/jp412176f view
Anna Gleizer, Giovanni Peralta, James R. Kermode, Alessandro De Vita, Dov Sherman , "Dissociative Chemisorption of O2 Inducing Stress Corrosion Cracking in Silicon Crystals," Physical Review Letters, March 2014,  vol. 112, The American Physical Society, 2014 view
Lifflander, J., Miller, P., Kale, L, " Adoption protocols for fanout-optimal fault-tolerant termination detection," Proceeding PPoPP '13 Proceedings of the 18th ACM SIGPLAN symposium on Principles and practice of parallel programming , February 2014,  vol. 48, no. 8, ACM, 2014 , pp. 13-22. 10.1145/2442516.2442519 view
Jack Poulson, Laurent Demanet, Nicholas Maxwell, and Lexing Ying Jack Poulson, Laurent Demanet, Nicholas Maxwell, Lexing Ying, "A Parallel Butterfly Algorithm," SIAM-Society for Industrial and Applied Mathematics, February 2014,  vol. 36, no. 1, SIAM, 2014 , pp. C49-C65. view
Jiali Wang, Y. Han, R. Kotamarthi, M. L. Stein , "Nested Regional Climate Model (NRCM) Downscaling in Extreme Temperature: Evaluated by Generalized Extreme Value (GEV) Distribution," 26th Conference on Climate Variability and Change, February 2014,  Atlanta, GA, 2014 view
Lopez-Bezanilla, A.,, "Electronic and Quantum Transport Properties of Substitutionally Doped Double-Walled Carbon Nanotubes," The Journal of Physical Chemistry C, January 2014,  vol. 118, no. 3, ACS Publications, 2014 , pp. 1472-1477. 10.1021/jp410648p view
Changho Kim, George Em Karniadakis, "Time Correlation Functions of Brownian Motion and Evaluation of Friction Coefficient in the Near-Brownian-Limit Regime," SIAM: Society for Industrial and Applied Mathematics, January 2014,  vol. 12, no. 1, SIAM , 2014 , pp. 225-248. 10.1137/130929916 view
Alexeev, Yuri; P. Mazanetz, Michael; Ichihara, Osamu; G. Fedorov, Dmitri, "GAMESS As a Free Quantum-Mechanical Platform for Drug Research," Current Topics in Medicinal Chemistry,, January 2014,  vol. 12, no. 18, Publishing Technology, 2014 view
Saidi, W.A., Patrick, N., "Probing single-walled carbon nanotube defect chemistry using resonance Raman spectroscopy," Carbon, January 2014,  vol. 67, Elsevier B.V., 2014 , pp. 17-26. view

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