Baton Rouge, Louisiana | Monday, November 23rd, 2009

Author Year Publication Info

Wei Huang, Joohyun Kim, Shantenu Jha, Fareed Aboul-ela, A mechanism for S-adenosyl methionine assisted formation of a riboswitch conformation: a small molecule with a strong arm. Nucleic Acids Res. 2009 37(19):6528-6539; doi:10.1093/nar/gkp664

Wei Huang, Joohyun Kim, Shantenu Jha, Fareed Aboul-ela, Vamsi Boyapati, Dynamics differences of SAM-I riboswitch aptamer between SAM bound and without SAM: insight into conformational rearrangement. FASEB J. 23: 842.1

Wendong Wang, Zhenjun Wang, Jinke Tang, Shizhong Yang, Hua Jin, Guang-Lin Zhao, Qiang Li, Seebeck coefficient and thermal conductivity in doped C60. Journal of Renewable and Sustainable Energy, 1, 023104 (2009)

David Brown, Peter Diener, Olivier Sarbach, Erik Schnetter, Manuel Tiglio, Turduckening black holes: an analytical and computational study. Phys. Rev. D, 79:044023, 2009. (doi:10.1103/PhysRevD.79.044023)

Promita Chakraborty, Shantenu Jha, Daniel S. Katz, Novel Submission Modes for Tightly-Coupled Jobs Across Distributed Resource for Reduced Time-to-Solution. To appear in, Philosophical Transactions of the Royal Society A, 2009.

Cheri A. McFerrin, Barry Dellinger, Randall W. Hall, Ab Initio Study of the Formation & Degradation Reactions of Chlorophenol. Journal of Molecular Structure: Theochem, 2009 (accepted for publication).

L. Duan, B. Li , L. Peng, Versatile Prediction and Fast Estimation of Architectural Vulnerability Factor from Processor Performance Metric. In Proceeding of the 15th IEEE International Symposium on High-Performance Computer Architecture (HPCA-15), Raleigh, NC, Feb. 2009.

Benjamin Aylott, John G. Baker, William D. Boggs, Michael Boyle, Patrick R. Brady, Duncan A. Brown, Bernd Brügmann, Luisa T. Buchman, Alessandra Buonanno, Laura Cadonati, Jordan Camp, Manuela Campanelli, Joan Centrella, Shourov Chatterji, Nelson Christensen, Tony Chu, Peter Diener, Nils Dorband, Zachariah B. Etienne, Joshua Faber, Stephen Fairhurst, Benjamin Farr, Sebastian Fischetti, Gianluca Guidi, Lisa M. Goggin, Mark Hannam, Frank Herrmann, Ian Hinder, Sascha Husa, Vicky Kalogera, Drew Keppel, Lawrence E. Kidder, Bernard J. Kelly, Badri Krishnan, Pablo Laguna, Carlos O. Lousto, Ilya Mandel, Pedro Marronetti, Richard Matzner, Sean T. McWilliams, Keith D. Matthews, R. Adam Mercer, Satyanarayan R. P. Mohapatra, Abdul H. Mroué, Hiroyuki Nakano, Evan Ochsner, Yi Pan, Larne Pekowsky, Harald P. Pfeiffer, Denis Pollney, Frans Pretorius, Vivien Raymond, Christian Reisswig, Luciano Rezzolla, Oliver Rinne, Craig Robinson, Christian Röver, Lucía Santamaría, Bangalore Sathyaprakash, Mark A. Scheel, Erik Schnetter, Jennifer Seiler, Stuart L. Shapiro, Deirdre Shoemaker, Ulrich Sperhake, Alexander Stroeer, Riccardo Sturani, Wolfgang Tichy, Yuk Tung Liu, Marc van der Sluys, James R. van Meter, Ruslan Vaulin, Alberto Vecchio, John Veitch, Andrea Viceré, John T. Whelan, Yosef Zlochower, Testing gravitational-wave searches with numerical relativity waveforms: Results from the first Numerical INJection Analysis (NINJA) project.. arXiv:0901.4399 [gr-qc], 2009

Steven Brandt, Matthew Kemp, Gabrielle Allen, Matthew Eastman, Erik Schnetter, Dynamic deployment of a component framework with the Ubiqis system. Submitted to Euro-Par 2009

David Brown, Peter Diener, Olivier Sarbach, Erik Schnetter, Manuel Tiglio, Turduckening black holes: an analytical and computational study. Phys. Rev. D, 79:044023, 2009. (doi:10.1103/PhysRevD.79.044023)

Erik Schnetter, Multi-physics coupling of Einstein and hydrodynamics evolution: A case study of the Einstein Toolkit. CBHPC 2008 (Component-Based High Performance Computing), 2008.

Erik Schnetter, Christian D. Ott, Peter Diener, Christian Reisswig, Astrophysical applications of numerical relativity — from Teragrid to Petascale.. The 3rd annual TeraGrid Conference, TeraGrid '08, 2008

Christian D. Ott, Erik Schnetter, Gabrielle Allen, Edward Seidel, Jian Tao, Burkhard Zink, A case study for petascale applications in astrophysics: Simulating Gamma-Ray Bursts. In Proceedings of the 15th ACM Mardi Gras conference: From lightweight mash-ups to lambda grids: Understanding the spectrum of distributed computing requirements, applications, tools, infrastructures, interoperability, and the incremental adoption of key capabilities, number 18 in ACM International Conference Proceeding Series, Baton Rouge, Louisiana, 2008. ACM. (doi:10.1145/1341811.1341831)

Guang-Lin Zhao, Shizhong Yang, Diola Bagayoko, Jinke Tang, Zhenun Wang, Electronic structure of C60 semiconductors under controlled dopingwith B, N, and Co atom. Diamond & Related Materials, 17, 749–752(2008).

T. Dytrych, K. D. Sviratcheva, J. P. Draayer, C. Bahri, J. P. Vary, Ab initio symplectic no-core shell model. J. Phys. G: Nucl. Part. Phys. 35(2008), 123101.

S. Bhattacharya, B. Coasne, F. R. Hung , K. E. Gubbin, Molecular modeling of templated mesoporous materials, SBA-15: From mesoscopic to molecular models to gas adsorption. Langmuir (Article ASAP, 2008). http://dx.doi.org/10.1021/la801560e

Andrei Hutanu, Gabrielle Allen, A case for application-level control of network resource. in Proceedings of CESNET 2008

Frank Muldoon, Control of a Simplified Unsteady Film-cooling Flow Using Gradient-based Optimization. AIAA Journal, 2008, Volume 46, Issue 10, pp 2443-245.

M. Mookherjee, Lars Stixrude, BB Karki, Hydrous silicate melt at high pressure. Nature, 2008, 452:983-986.

NP de Koker, Lars Stixrude, BB Karki, Thermodynamics, structure, dynamics, and freezing of Mg2SiO4 liquid at high pressure. Geochimica et Cosmochimica Acta, 2008, 72: 1427-1441.

Gennady Gutsev, Yuriy Shul'ga, Mogus Mochena, Elijah Johnson, Oxidation of C60 Fullerite by Interstitial Oxygen. J. of Physical Chemistry,jp-2007-10745f.R2 (accepted)

Cheri A. McFerrin, H. Barry Dellinger, Randall W. Hall, Ab Initio Study of the Formation and Degradation Reactions of Semiquinone and Phenoxyl Radical. J. Molecular Structure: THEOCHEM, 848, 16-23, 2008.

CD Wick , LX Dang, Molecular dynamics study of ion transfer and distribution at the interface of water and 1,2-dichloroethane. J. Phys. Chem. C, 2008, 112:647-649 Cover article.

Ricky B. Nella, Samuel J. Keasler, Bin Chen, Molecular content and structure of aqueous organic nanodroplets from the vapor-liquid nucleation study of the water/n-nonane/1-alcohol serie. J. Phys. Chem. A, 112, 2930-2939 (2008).

Bin Chen, Ricky B. Nella, Samuel J. Keasler, Fractal aggregates in protein crystal nucleation. J. Phys. Chem. B 112, 4725-4730 (2008).

Bin Chen, Hyunmi Kim, Samuel J. Keasler, Ricky B. Nella, An aggregation-volume-bias Monte Carlo investigation on the condensation of a Lennard-Jones vapor and crystal nucleation in cluster systems: An in-depth evaluation of the classical nucleation theory. J. Phys. Chem. B 112, 4067-4078 (2008).

Ricky B. Nellas , Bin Chen, Towards understanding the nucleation mechanism for multi-component systems: An atomistic simulation of the ternary nucleation of water/n-nonane/1-butanol. Phys. Chem. Chem. Phys. 10, 506-514 (2008).

B. Zink, E. Schnetter, M. Tiglio, Multipatch methods in general relativistic astrophysics: Hydrodynamical flows on fixed background. Phys. Rev. D, 77(10), 103015, 2008 http://adsabs.harvard.edu/abs/2008PhRvD..77j3015Z

Luciano Rezzolla, Peter Diener, Ernst Nils Dorband, Denis Pollney, Christian Reisswig, Erik Schnetter, Jennifer Seiler, The final spin from the coalescence of aligned-spin black-hole binarie. Astrophys. J. Lett., 674:L29-L32, 2008. (doi:10.1086/528935).

Erik Schnetter, Christian D. Ott, Peter Diener, Christian Reisswig, Astrophysical applications of numerical relativity — from Teragrid to Petascale. The 3rd annual TeraGrid Conference, TeraGrid '08 (accepted), 2008.

H. Pham, D. Cimpoesu, A. Stancu, L. Spinu, Switching behavior of a Stoner-Wohlfarth particle subjected tospin-torque effect. J. Appl. Phys. 103(7), 07B105-1-3 (2008)

G.K.P. Dathara , Mainardi D.S., Structure and Dynamics of Ti-Al-HCompounds in Ti-Doped NaAlH4. Molecular Simulation, 2008, 34(2), 201-210.

Anderson M, Hirschmann E W, Lehner L, Liebling, S L, Motl P M, Neilsen D, Palenzuela C , Tohline J E, Magnetized Neutron-Star Mergers and Gravitational-Wave Signal. PhRvL, 2008, 100s1101.

Anderson M, Hirschmann E W, Lehner L, Liebling S L, Motl P M, Neilsen D, Palenzuela C , Tohline J E, Simulating binary neutron stars: Dynamics and gravitational wave. PhRvD, 2008, 77b4006A.

Frank Muldoon, Control of a Simplified Unsteady Film-cooling Flow Using Gradient-basedOptimization. accepted Feb. 8 2008, AIAA Journal.

Thompson K.E., Willson C.S., White C.D., Nyman S., Bhattacharya J.P., A.H. Reed, Application of a new grain-based reconstruction algorithm to microtomography images for quantitative characterization and flow modeling. SPE Journal, 13(2) 164-176 (2008).

B. Li, L. Peng , B. Ramada, Efficient MART-Aided Modeling for Microarchitecture Design Space Exploration and Performance Prediction. in Proceeding of the 2008 ACM International Conference on Measurement and Modeling of Computer Systems (SIGMETRICS), Annapolis, MD, Jun. 2008, pp439-440.

Yang X, Dillon RH, Fauci LJ., An integrative computational model of multiciliary beating. Bull Math Biol. 2008 May;70(4):1192-215. Epub 2008 Jan 31. http://www.ncbi.nlm.nih.gov/sites/entrez?term=xingzhou

A. De, S. Acharya, Large Eddy Simulation of Premixed Comustion with a Thickened-Flame Approach. ASME Turbo Expo 2008: Power for Land, Sea and Air, ASME Paper GT2008-51320.

A.De, S. acharya, Large Eddy Simulation of Turbulent Bunsen Flame with a Thickened-Flame Approach. Proceedings of the 2008 Technical Meeting of the Central States Section of The Combustion Institute, April 20-22, 2008, Tuscaloosa, AL.

D. H. Leedom, S. Acharya, Large Eddy Simulations of Film Cooling Flow Fields from Cylindrical and Shaped Hole. Proceedings of ASME Turbo Expo 2008: Power for Land, Sea and Air GT2008 June 9-13, 2008, Berlin, Germany

Cornelius Toole, Andrei Hutanu, Network Flow Based Resource Brokering and Optimization Techniques for Distributed Data Streaming Over Optical Network. in Proceedings of Mardigras Conference 2008.

Shantenu Jha, Andre Merzky, Geoffrey Fox, Using Clouds to Provide Grids Higher-Levels of Abstraction and Explicit Support for Usage Mode. submitted to, Concurrency and Computing: Practise and Experience (2008)

Jha Khamra, Kaiser Merzky and Weidner, Developing Adaptive Scientific Applications with Hard to Predict Runtime Resource Requirement. Proceedings of TeraGrid 2008, Winner of Performance Challenge Award at TeraGrid 08

Promita Chakraborty, Shantenu Jha, Design and Performance Analysis of a Distributed HPC Molecular Dynamics Code on Distributed Resource. ACM SIGAPP 15th Mardi Gras Conference, 30 Jan - 2 Feb, 2008, Baton Rouge, Louisiana.

S. Kodiyalam, M.D. Robert, I.A. Sigal, R.T. Hart, C.F. Burgoyne, J.C.Down, Large Scale Voxel-based Finite element Modeling of Normal andEarly Glaucomatous Monkey Lamina Cribrosa. Proceedings of the ASME 2008Summer Bioengineering Conference, June 25-29, Marco Island, Florida.

Tomas Dytrych, Kristina D. Sviratcheva, Chairul Bahri, Jerry P. Draayer , James P. Vary, Highly deformed modes in the ab initio symplectic no-core shell model. J. Phys. G: Nucl. Part. Phys. 35, 095101, 2008

Andrei Hutanu, Jinghua Ge, Cornelius Toole, Ravi Paruchuri, Adam Yate, Gabrielle Allen, the LONI, Internet2 DCN and CESNET Team, Distributed Visualization Using Optical Networks: Demonstration at Super computing 2008. CCT TR Series, 2008, http://www.cct.lsu.edu/CCT-TR/CCT-TR-2008-10

Jian Tao, Gabrielle Allen, Ian Hinder, Erik Schnetter, Yosef Zlochower, XiRel: Standard benchmarks for numerical relativity codes using Cactus and Carpet. Technical Report CCT-TR-2008-5, Louisiana State University, 2008

Erik Schnetter, Gabrielle Allen, Tom Goodale, Mayank Tyagi, Alpaca: Cactus tools for application level performance and correctness analysis.. Technical Report CCT-TR-2008-2, Louisiana State University, 2008.

M. Chinchio, C. Czaplewski, A. Liwo , S. Odlziej , H. A. Scheraga , Dynamic formation and breaking of disulfide bonds in molecular dynamics simulations with the UNRES force field.. J.Chem.Theor.Comput. 3, 1236-1248 (2007)

Karki BB , Khanduja G, A computational study of ionic vacancies and diffusion in MgSiO3 perovskite and postperovskite phase. Earth and Planetary Science Letters, 2007, 260: 201-211.

Karki BB, Bhattarai D , Stixrude L, First principles simulations of liquid silica: structural and dynamical behavior at high pressure. Physical Review B, 2007, 76: 104205

Oard S, Karki BB , Enright F, Is there a difference in metal ion-based inhibition between members of thionin family: Molecular dynamics simulation study. Biophysical Chemistry, 2007, 130: 65-75.

Randall W. Hall , Peter G. Wolyne, Intermolecular forces and the glass transition. J. Phys. Chem. B,112, 301-312, 2007

Ou S, Tohline J E , Motl P M, Further Evidence for an Elliptical Instability in Rotating Fluid Bars and Ellipsoidal Star. The Astrophysical Journal, 2007, 665, 1074.

Motl P M, Frank J, Tohline J E , D'Souza M C R, The Stability of Double White Dwarf Binaries Undergoing Direct-Impact Accretion. The Astrophysical Journal, 2007, 670, 1314.

S. Ou, J. Ji, L. Liu, X. Peng, Simulations of Disk-Planet Interaction: Baroclinic Generation of Vortensity and Nonaxisymmetric Rossby-Wave Instabilitie. The Astrophysical Journal, 2007, 667, 1220.

Frank Muldoon , Sumanta Acharya, A Divergence-Free Interpolation Scheme for the Immersed Boundary Method. International Journal for NumericalMethods in Fluids, Volume 55, Issue 4, October 2007, pp. 307-345.

Frank Muldoon , Sumanta Acharya, A Modification of the Artificial Compressibility Algorithm with ImprovedConvergence Characteristic. International Journal for Numerical Methods in Fluids, 2007, Volume 55,Issue 4, pp. 307-345.

K.E. Thompson, Computing particle surface areas and contact areas from three-dimensional tomography data of particulate material. Particle & Particle Systems Characterization, 24(6), 440-452 (2007).

M.T. Balhoff, K.E. Thompson, M.A. Hjortsø, Coupling pore-scale networks to continuum-scale models of porous media. Computers and Geosciences, 33, 393-410 (2007).

Tyagi M., Roy S., Acharya S., Hervey A.D., Simulation of laminar and turbulent impeller stirred tanks using immersed boundary method and large eddy simulation technique in multi-block curvilinear geometrie. Chem. Eng. Sci., 2007, 62(5), 1351-1363.

Ricky B. Nella, J. Ilja Siepmann, Bin Chen, Dumbbells and Onions in Ternary Nucleation. Phys. Chem. Chem. Phys. 9, 2779-2781 (2007).

Barry Dellinger, Slawomir Lomnicki, Lavrent Khachatryan, Zofia Masko, Randall W. Hall, JulienAdounkpe, Cheri McFerrin, Hieu Truong, Formation and stabilization of persistent free rad-ical. Proceedings of the Combustion Institute, 31, 521-528, 2007

Anthony A. Mrse, Robert Wu, Zhehong Gan, Frank R. Fronczek, Randall W. Hall, Larry S. Simeral, Leslie G. Butler, Isobutylaluminoxane Hydride, A High Aluminum-Content Cluster: Struc-ture, 27 Al MAS NMR, and Comparison with EFG Tensors from ab initio Molecular Orbital Calcu-lation. J. Inorg. Chem., 46, 44-47, 2007

Christian D. Ott, Harald Dimmelmeier, Andreas Marek, Hans-Thomas Janka, Burkhard Zink, Ian Hawke, Erik Schnetter, Rotating collapse of stellar iron cores in general relativity. Class. Quantum Grav., 24:S139–S154, 2007. (doi:10.1088/0264-9381/24/12/S10)

Enrique Pazo, Ernst Nils Dorband, Alessandro Nagar, Carlos Palenzuela, Erik Schnetter, Manuel Tiglio, How far away is far enough for extracting numerical waveforms, and how much do they depend on the extraction method?. Class. Quantum Grav., 24:S341–S368, 2007. (doi:10.1088/0264-9381/24/12/S22)

Michael Koppitz, Denis Pollney, Christian Reisswig, Luciano Rezzolla, Jonathan Thornburg, Peter Diener, Erik Schnetter, Recoil velocities from equal-mass binary-black-hole merger. Phys. Rev. Lett., 99:041102, 2007. (doi:10.1103/PhysRevLett.99.041102)

Jonathan Thornburg, Peter Diener, Denis Pollney, Luciano Rezzolla, Erik Schnetter, Edward Seidel, Ryoji Takahashi, Are moving punctures equivalent to moving black holes?. Class. Quantum Grav., 24:3911–3918, 2007. (doi:10.1088/0264-9381/24/15/009)

Dylan Stark, Gabrielle Allen, Tom Goodale, Thomas Radke, Erik Schnetter, An extensible timing infrastructure for adaptive large-scale application. In Roman Wyrzykowski, Jack Dongarra, Konrad Karczewski, and Jerzy Wasniewski, editors, Parallel Processing and Applied Mathematics (PPAM), 2007, Gdansk, Poland, volume 4967 of Lecture Notes in Computer Science (LNCS), pages 1170-1179. Springer, 2007.

David Brown, Olivier Sarbach, Erik Schnetter, Manuel Tiglio, Peter Diener, Ian Hawke, Denis Pollney, Excision without excision. Phys. Rev. D, 76:081503(R), 2007. (doi:10.1103/PhysRevD.76.081503)

Tomas Dytrych, Kristina D. Sviratcheva, Chairul Bahri, Jerry P. Draayer , James P. Vary, Evidence for Symplectic Symmetry in Ab Initio No-Core ShellModel Results for Light Nuclei. Phys. Rev. Lett. 98, 162503, 2007

Tomas Dytrych, Kristina D. Sviratcheva, Chairul Bahri, Jerry P. Draayer , James P. Vary, Dominant role of symplectic symmetry in ab initio no-coreshell model results for light nuclei. Phys. Rev. C 76, 014315, 2007

Esma Yildirim, Haluk Topcuoglu , Tevfik Kosar, A Memetic Algorithm for Reliability-based Dynamic Scheduling in Heterogeneous Computing Environment. In Proceedings of 19th IASTED International Conference on Parallel and Distributed Computing and Systems (PDCS 2007), Cambridge, MA, November 2007

B. Abbott (Oklahoma U.), A. Baranovski, M. Diesburg, G. Garzoglio (Fermilab), T. Kurca (Lyon IPN) , P. Mhashilkar (Fermilab), DZero data-intensive computing on the Open Science Grid. FERMILAB-PUB-07-462-CD, Sep 2007. 8pp., Presented at International Conference on Computing in High Energy and Nuclear Physics (CHEP 07), Victoria, BC, Canada, 2-7 Sep 2007.

Lina Battestilli, Andrei Hutanu, Gigi Karmous-Edward, Daniel S. Katz, Jon MacLaren, Joe Mambretti, John H. Moore, Ed Seidel, Seung-Jong Park, Harry G. Perro, Kamaraju Syam Sundar, Savera Tanwir, Steven R. Thorpe, Yufeng Xin, EnLIGHTened Computing: An Architecture for Co-allocating Network, Compute and other Grid Resources for High-End Application. HONET 2007, http://www.enlightenedcomputing.org

Andrei Hutanu, Miloˇs Liˇska, Petr Holub, Ravi Paruchuri, Daniel Eiland, Steven R. Thorpe, Yufeng Xin, Uncompressed HD video for collaborative teaching - an experiment. in Proceedings of CollaborateCom 2007.

EnLIGHTened: Steven R. Thorpe, Lina Battestilli, Gigi Karmous-Edward, Andrei Hutanu, Jon MacLaren, Joe Mambretti, John H. Moore, Kamaraju Syam Sundar, Yufeng Xin, G-lambda: Atsuko Takefusa, Michiaki Hayashi, Akira Hirano, Shuichi Okamoto, Tomohiro Kudoh, Takahiro Miyamoto, Yukio Tsukishima, Tomohiro Otani, Hidemoto Nakada, Hideaki Tanaka, Atsushi Taniguchi, Yasunori Sameshima, Masahiko Jinno, G-lambda and EnLIGHTened: Wrapped In Middleware Co-allocating Compute and Network Resources Across Japan and the US. in Proceedings of GridNets 2007

Andrei Hutanu, A data transfer benchmark. in Proceedings of the 4th High-End Visualization Workshop International Workshop (2007), pp 86-95

Jha Kaiser Merzky and Weidern, Application Level Interoperabiloity Using SAGA. pp 584-59, International Workshop on Interoperation and Interoperabiltiy in Grids, Held in conjunction with e-Science 2007, Bangalore (India) ISBN: 978-0-7695-3064-2

Jha Khamra, Merzky Kaiser and Weidner, Design and Implementation of Network Performance Aware Applications Using SAGA and Cactu. pp 143-150, IEEE Conference on e-Science 2007, Bangalore, ISBN 978-0-7695-3064-2

Frank Muldoon , Sumanta Acharya, Computations of Pulsed Film-cooling. ASME TURBO EXPO 2007, GT2007-28156.

Karki BB, Bhattarai D , Stixrude L, First principles calculations of the structural, dynamical and electronic properties of liquid MgO. Physical Review B, 2006, 73: 174208.

BB Karki, Dipesh Bhattarai, Lars Stixrude, A first-principles computational framework for liquid mineral system. CMC: Computers, Materials and Continua, 2006, 3: 107-118.

BB Karki , G. Khanduja, Computer simulation and visualization of vacancy defects in MgSiO3 perovskite. Modeling and Simulation in Materials Science and Engineering, 2006, 14: 1041-1052.

BB Karki , G. Khanduja, Vacancy defects in MgO at high pressure. American Mineralogist, 2006, 91: 511-516.

S. Oard , BB Karki, Mechanism of beta-purothionin antimicrobial peptide inhibition by metal ions: Molecular dynamics simulation study. Biophysical Chemistry, 2006, 121: 30-43.

Lacramioara Negureanu, Randall W. Hall, Leslie G. Butler, Larry S. Simeral, MAO (methyalu-moxane) Polymerization Mechanism from Quantum Molecular Dynamics and Electronic StructureCalculation. J. Amer. Chem. Soc., 128, 16816-16826, 2006

Samuel J. Keasler, Ricky B. Nella, Bin Chen, Water mediated attraction between repulsive ions - A cluster-based simulation approach. J. Chem. Phys. 125, 144520 (2006).

Ricky B. Nella, Matthew E. McKenzie, Bin Chen, Probing the nucleation mechanism for the binary n-nonane/1-alcohol series with atomistic simulation. J. Phys. Chem. B 110, 18619-18628 (2006).

Matthew E. McKenzie , Bin Chen, Unravelling the peculiar nucleation mechanisms for non-ideal binary mixtures with atomistic simulation. J. Phys. Chem. B 110, 3511-3516 (2006).

Frank Muldoon , Sumanta Acharya, Analysis of k-e Budgets for Film Cooling Using Direct NumericalSimulation. AIAA Journal, 2006, Volume 44, Issue 12, pp 3010-3021.

K. E. Thompson, C. S. Willson, W. Zhang, Quantitative computer reconstruction of particulate materials from microtomography image. Powder Technology, 163, 169-182 (2006).

M. Balhoff, K.E. Thompson, A macroscopic model for shear-thinning flow in packed beds based on network modeling. Chem. Eng. Sci., 61, 698-719 (2006).

L. Yan, K.E. Thompson, K.T. Valsaraj, A numerical study of the coalescence of emulsion droplets in a constricted tube. J. Colloid Interface Sci. 298, 832-844 (2006).

W. Zhang, K.E. Thompson, A.H. Reed, L. Beenken, Relationship between packing structure and porosity in fixed beds of equilateral cylindrical particle. Chem. Eng. Sci. 61, 8060-8074 (2006).

Mehmet Balman, Tetrahedral Mesh Refinement in Distributed Environment. In Proceedings of IEEE International Conference on Parallel Processing Workshops (ICPP) (The 8th Workshop on High Performance Scientific and Engineering Computing (HPSEC-06)), 14-18 August 2006, Columbus, Ohio, USA. IEEE Computer Society 2006, pp. 497-504, ISBN 0-7695-2637-3

Andrei Hutanu, Stephan Hirmer, Gabrielle Allen, Andre Merzky, Analysis of Remote Execution Models for Grid Middleware. in Proceedings of the 4th International Workshop on Middleware for Grid Computing (MGC 2006), pp. 62–67.

Andrei Hutanu, Gabrielle Allen, Stephen D. Beck, Petr Holub, Hartmut Kaiser, Archit Kulshrestha, Miloˇs Liˇska, Jon MacLaren, Ludˇek Matyska, Ravi Paruchuri, Steffen Prohaska, Ed Seidel, Brygg Ullmer, Shalini Venkataraman, Distributed and collaborative visualization of large data sets using high-speed network. Future Generation Computer Systems: The International Journal of Grid Computing: Theory, Methods and Applications, Volume 22, Issue 8, pp. 1004-1010 (2006)

Petr Holub, Ludˇek Matyska, Miloˇs Liˇska, Lukas Hejtmanek, Jiri Denemark, Tomas Rebok, Andrei Hutanu, Ravi Paruchuri, Jan Radil, Eva Hladka, High-Definition Multimedia for Multiparty Low-Latency Interactive Communication. Future Generation Computer Systems: The International Journal of Grid Computing: Theory, Methods and Applications, Volume 22, Issue 8, pp. 856–861 (2006)

Dimitris Nikitopoulo, Sumanta Acharya, Jeremiah Oertling , Frank Muldoon, On Active Control of Film-Cooling Flow. ASME TURBO EXPO 2006, GT2006-90051.

Frank Muldoon , Sumanta Acharya, Mass Conservation in the Immersed Boundary Method. 2005 ASME Fluids Engineering Division Summer Meeting and Exhibition, FEDSM2005-77301.

Frank Muldoon , Sumanta Acharya, Direct Numerical Simulation of a Film Cooling Jet. ASME TURBO EXPO 2004, GT2004-53502.

H. Pham, D. Cimpoesu, A. Stancu, L. Spinu, Dynamic and temperature effects in spin-transfer switching. Intermag 2008 Conference, May 4-8, 2008, Madrid, Spain, paper CN-01, pp. 419 - poster presentation

D. Cimpoesu, H. Pham, A. Stancu, L. Spinu, Dynamic and temperature effects in spin-transfer switching. 2008 American Physical Society (APS) March Meeting, March 10-14, New Orleans, Louisiana, paper A15.00006 - oral presentationhttp://meetings.aps.org/Meeting/MAR08/Event/74841

H. Pham, D. Cimpoesu, A. Stancu, L. Spinu, Switching behavior of a Stoner-Wohlfarth particle subjected to spin-torque effect. 2008 American Physical Society (APS) March Meeting, March 10-14, New Orleans, Louisiana, paper D32.00001 - oral presentationhttp://meetings.aps.org/Meeting/MAR08/Event/76356

Wei Huang, Fareed Aboul-ela, Shantenu Jha, Vamsi Boyapati, Computational study of conformational switching of s-box riboswitch. 235th ACS National Meeting, April 6-10, 2008, New Orleans, LA. BIOL-182, poster presentation.