Publications

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
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
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
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
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
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
Sean Wallace, Venkatram Vishwanath, Susan Coghlan, JohnTramm, Zhiling Lan, Michael E. Papka, " Application power profiling on IBM Blue Gene/Q," Cluster Computing (CLUSTER), 2013 IEEE International Conference, January 2014,  Indianapolis, IN, IEEE Explore, 2014 , pp. 1-8. 10.1109/CLUSTER.2013.6702682 view
James Kermodea, Giovanni Peraltaa, Zhenwei Lia, Alessandro De Vita, "Multiscale modelling of materials chemomechanics: brittle fracture of oxides and semiconductors," ScienceDirect, January 2014,  Elsevier B.V., 2014 , pp. 1681-1686. 10.1016/j.mspro.2014.06.271 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
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
Xingfu Wu ; Valeria Taylor, "Performance modeling of hybrid MPI/OpenMP scientific applications on large-scale multicore supercomputers," Journal of Computer and System Sciences, December 2013,  vol. 79, no. 8, Elsevier B.V., 2013 , pp. 1256-1268. view
Wei Jiang, James C. Phillips, Lei Huang, Mikolai Fajer, Yilin Meng, James C. Gumbart, Yun Luo, Klaus Schulten, Benoît Roux,, "Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD," Computer Physics communications, December 2013,  Elsevier B.V., 2013 view

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