Publications

2008 Publications

Title : "Demonstration of Grid-enabled ensemble Kalman filter Data Assimilation Methodology for Reservoir Characterization,Proc of the 15th ACM Mardi Gras 2008-Workshop on Grid enabling Applications, Baton Rouge, LA"

Authors: Ravi Vadapalli, Ping Luo, Taesung Kim, Ajitabh Kumar and Shameem Siddiqui

2007 Publications

Title : "Chemical Dynamics Simulations of CO₂ Scattering off a Fluorinated Self-Assembled Monolayer Surface, Journal of Physical Chemistry C 111, 354-364 (2007)"

Authors: E. Martínez-Núñez, A. Rahaman, and W. L. Hase

Title : "Regular Dynamics Associated with Heat Transfer at the Interface of Model Diamond {111} Nanosurfaces, Journal of Physical Chemistry C 111, 1754-1763 (2007)"

Authors: O. A. Mazyar, T. Yan, S. V. Addepalli, and W. L. Hase

Title : "Direct Dynamics Simulations Using Hessian-Based Predictor-Corrector Integration Algorithms,Journal of Chemical Physics 126, 044105/1-11 (2007)"

Authors: U. Lourderaj, K. Song, T. L. Windus, Y. Zhuang, and W. L. Hase

Title : "An Ab Initio Direct Dynamics Simulation of Protonated Glycine Surface-Induced Dissociation,International Journal of Mass Spectrometry 265, 326-336 (2007)"

Authors: K. Park, K. Song, and W. L. Hase

Title : "A Direct Dynamics Trajectory Study of F^- + CH₃OOH Reactive Collisions Revals a Major Non-IRC Reaction Path,Journal of the American Chemical Society 129, 9976-9985 (2007)"

Authors: J. G. López, G. Vayner, U. Lourderaj, S. V. Addepalli, S. Kato, W. A. deJong,T. L. Windus, and W. L.Hase

Title : "Molecular Simulation of Cross Stream Chain Migration Phenomenon in Flowing Polymeric Solutions,Poster presentation:Third Prize,Sixth Annual Graduate Student Research Poster Competition, Mar 22, Texas Tech University, Lubbock, TX (2007)"

Authors: Swapnil C. Kohale and Rajesh Khare

Title : "Molecular Hydrodynamics in Dilute Suspensions near A Solid Surface,Conference presentation The American Institute of Chemical Engineers (AIChE) 2007 Annual Meeting , Nov 4-9, Salt Lake City, UT (2007)"

Authors: Swapnil C. Kohale and Rajesh Khare

Title : "Molecular Hydrodynamics in Dilute Suspensions, Conference presentation The Society of Rheology (SOR) 79th Annual Meeting, Oct 7-11, Salt Lake City, UT (2007)"

Authors: Swapnil C. Kohale and Rajesh Khare

Title : "Using Discrete Variable Representation Path Integral Monte Carlo with Metropolis Sampling to Compute Ground State Wavefunctions,J. Theoret. Comput. Chem,2007"

Authors: Y. Xiao and Bill Poirier

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HPCC

Texas Tech University

Publications

2008 Publications

Title : "Demonstration of Grid-enabled ensemble Kalman filter Data Assimilation Methodology for Reservoir Characterization,Proc of the 15th ACM Mardi Gras 2008-Workshop on Grid enabling Applications, Baton Rouge, LA"

Authors: Ravi Vadapalli, Ping Luo, Taesung Kim, Ajitabh Kumar and Shameem Siddiqui

2007 Publications

Title : "Chemical Dynamics Simulations of CO₂ Scattering off a Fluorinated Self-Assembled Monolayer Surface, Journal of Physical Chemistry C 111, 354-364 (2007)"

Authors: E. Martínez-Núñez, A. Rahaman, and W. L. Hase

Title : "Regular Dynamics Associated with Heat Transfer at the Interface of Model Diamond {111} Nanosurfaces, Journal of Physical Chemistry C 111, 1754-1763 (2007)"

Authors: O. A. Mazyar, T. Yan, S. V. Addepalli, and W. L. Hase

Title : "Direct Dynamics Simulations Using Hessian-Based Predictor-Corrector Integration Algorithms,Journal of Chemical Physics 126, 044105/1-11 (2007)"

Authors: U. Lourderaj, K. Song, T. L. Windus, Y. Zhuang, and W. L. Hase

Title : "An Ab Initio Direct Dynamics Simulation of Protonated Glycine Surface-Induced Dissociation,International Journal of Mass Spectrometry 265, 326-336 (2007)"

Authors: K. Park, K. Song, and W. L. Hase

Title : "A Direct Dynamics Trajectory Study of F^- + CH₃OOH Reactive Collisions Revals a Major Non-IRC Reaction Path,Journal of the American Chemical Society 129, 9976-9985 (2007)"

Authors: J. G. López, G. Vayner, U. Lourderaj, S. V. Addepalli, S. Kato, W. A. deJong,T. L. Windus, and W. L.Hase

Title : "Molecular Simulation of Cross Stream Chain Migration Phenomenon in Flowing Polymeric Solutions,Poster presentation:Third Prize,Sixth Annual Graduate Student Research Poster Competition, Mar 22, Texas Tech University, Lubbock, TX (2007)"

Authors: Swapnil C. Kohale and Rajesh Khare

Title : "Molecular Hydrodynamics in Dilute Suspensions near A Solid Surface,Conference presentation The American Institute of Chemical Engineers (AIChE) 2007 Annual Meeting , Nov 4-9, Salt Lake City, UT (2007)"

Authors: Swapnil C. Kohale and Rajesh Khare

Title : "Molecular Hydrodynamics in Dilute Suspensions, Conference presentation The Society of Rheology (SOR) 79th Annual Meeting, Oct 7-11, Salt Lake City, UT (2007)"

Authors: Swapnil C. Kohale and Rajesh Khare

Title : "Using Discrete Variable Representation Path Integral Monte Carlo with Metropolis Sampling to Compute Ground State Wavefunctions,J. Theoret. Comput. Chem,2007"

Authors: Y. Xiao and Bill Poirier

Quick Search

HPCC

Texas Tech University

Publications

2008 Publications

Title : "Demonstration of Grid-enabled ensemble Kalman filter Data Assimilation Methodology for Reservoir Characterization,Proc of the 15th ACM Mardi Gras 2008-Workshop on Grid enabling Applications, Baton Rouge, LA"

Authors: Ravi Vadapalli, Ping Luo, Taesung Kim, Ajitabh Kumar and Shameem Siddiqui

2007 Publications

Title : "Chemical Dynamics Simulations of CO2 Scattering off a Fluorinated Self-Assembled Monolayer Surface, Journal of Physical Chemistry C 111, 354-364 (2007)"

Authors: E. Martínez-Núñez, A. Rahaman, and W. L. Hase

Title : "Regular Dynamics Associated with Heat Transfer at the Interface of Model Diamond {111} Nanosurfaces, Journal of Physical Chemistry C 111, 1754-1763 (2007)"

Authors: O. A. Mazyar, T. Yan, S. V. Addepalli, and W. L. Hase

Title : "Direct Dynamics Simulations Using Hessian-Based Predictor-Corrector Integration Algorithms,Journal of Chemical Physics 126, 044105/1-11 (2007)"

Authors: U. Lourderaj, K. Song, T. L. Windus, Y. Zhuang, and W. L. Hase

Title : "An Ab Initio Direct Dynamics Simulation of Protonated Glycine Surface-Induced Dissociation,International Journal of Mass Spectrometry 265, 326-336 (2007)"

Authors: K. Park, K. Song, and W. L. Hase

Title : "A Direct Dynamics Trajectory Study of F- + CH3OOH Reactive Collisions Revals a Major Non-IRC Reaction Path,Journal of the American Chemical Society 129, 9976-9985 (2007)"

Authors: J. G. López, G. Vayner, U. Lourderaj, S. V. Addepalli, S. Kato, W. A. deJong,T. L. Windus, and W. L.Hase

Title : "Molecular Simulation of Cross Stream Chain Migration Phenomenon in Flowing Polymeric Solutions,Poster presentation:Third Prize,Sixth Annual Graduate Student Research Poster Competition, Mar 22, Texas Tech University, Lubbock, TX (2007)"

Authors: Swapnil C. Kohale and Rajesh Khare

Title : "Molecular Hydrodynamics in Dilute Suspensions near A Solid Surface,Conference presentation The American Institute of Chemical Engineers (AIChE) 2007 Annual Meeting , Nov 4-9, Salt Lake City, UT (2007)"

Authors: Swapnil C. Kohale and Rajesh Khare

Title : "Molecular Hydrodynamics in Dilute Suspensions, Conference presentation The Society of Rheology (SOR) 79th Annual Meeting, Oct 7-11, Salt Lake City, UT (2007)"

Authors: Swapnil C. Kohale and Rajesh Khare

Title : "Using Discrete Variable Representation Path Integral Monte Carlo with Metropolis Sampling to Compute Ground State Wavefunctions,J. Theoret. Comput. Chem,2007"

Authors: Y. Xiao and Bill Poirier

Title : "Chemical Dynamics Simulations of CO₂ Scattering off a Fluorinated Self-Assembled Monolayer Surface, Journal of Physical Chemistry C 111, 354-364 (2007)"

Title : "A Direct Dynamics Trajectory Study of F^- + CH₃OOH Reactive Collisions Revals a Major Non-IRC Reaction Path,Journal of the American Chemical Society 129, 9976-9985 (2007)"