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Electrokinetic flow of an aqueous electrolyte in amorphous silica nanotubes

Physical chemistry chemical physics : PCCP, 2018-11, Vol.20 (44), p.27838-27848

2018

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How Are Completely Desolvated Ions Produced in Electrospray Ionization: Insights from Molecular Dynamics Simulations

Analytical chemistry (Washington), 2011-11, Vol.83 (22), p.8372-8376

2011

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Algorithms for GPU-based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals

Journal of computational chemistry, 2015-09, Vol.36 (24), p.1787-1804

2015

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Characterization of microstructured fibre emitters: in pursuit of improved nano electrospray ionization performance

Analyst (London), 2012-09, Vol.137 (18), p.4150-4161

2012

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Molecular Dynamics Simulations to Examine Structure, Energetics, and Evaporation/Condensation Dynamics in Small Charged Clusters of Water or Methanol Containing a Single Monatomic Ion

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-11, Vol.116 (43), p.10488-10495

2012

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Solvation of Phenylglycine- and Leucine-Derived Chiral Stationary Phases: Molecular Dynamics Simulation Study

The journal of physical chemistry. B, 2008-10, Vol.112 (41), p.13022-13037

2008

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Chiral Discrimination of a Proline-Based Stationary Phase: Adhesion Forces and Calculated Selectivity Factors

Journal of physical chemistry. C, 2013-02, Vol.117 (8), p.4131-4140

2013

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Solvent Induced Adhesion Interactions between Dichlorotriazine Films

Journal of physical chemistry. C, 2012-02, Vol.116 (6), p.4217-4223

2012

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Manipulation of Liquid Crystals by an Orienting Force in MD Simulations

Ferroelectrics, 2012-01, Vol.431 (1), p.99-107

2012

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Solvation of the N-(1-Phenylethyl)-N‘-[3-(triethoxysilyl)propyl]-urea Chiral Stationary Phase in Mixed Alcohol/Water Solvents

The journal of physical chemistry. B, 2006-05, Vol.110 (19), p.9511-9519

2006

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Electrokinetic flow of an aqueous electrolyte in amorphous silica nanotubes

Physical chemistry chemical physics : PCCP, 2018-10, Vol.20 (44)

2018

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Characterization of microstructured fibre emitters: in pursuit of improved nano electrospray ionization performanceElectronic supplementary information (ESI) available: A series of figures showing the mesh applied for different ESI emitter models and the corresponding boundary conditions is provided. A schematic of the experimental electrospray setup is included. For a single-channel emitter, a figure showing the quantitative assessment of the steady state is provided along with snapshots illust

2012-08

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High Performance Computing Systems and Applications: 23rd International Symposium, HPCS 2009, Kingston, Ontario, Canada, June 14-17, 2009, Revised Selected Papers

1, 2010

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The Implementation of Polarizable and Flexible Models in Molecular Dynamics Simulations

High Performance Computing Systems and Applications, p.76-98

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Case Study of Scientific Data Processing on a Cloud Using Hadoop

High Performance Computing Systems and Applications, p.400-415

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First Born differential cross-sections for electronic excitation in the helium atom

Journal of electron spectroscopy and related phenomena, 2002-05, Vol.123 (2), p.143-159

2002

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OpenMP Parallelization of a Mickens Time-Integration Scheme for a Mixed-Culture Biofilm Model and Its Performance on Multi-core and Multi-processor Computers

High Performance Computing Systems and Applications, p.180-195

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Modeling the Interactions between Poly(N-Vinylpyrrolidone) and Gas Hydrates: Factors Involved in Suppressing and Accelerating Hydrate Growth

High Performance Computing Systems and Applications, p.117-133

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Domain Decomposition of Stochastic PDEs: A Novel Preconditioner and Its Parallel Performance

High Performance Computing Systems and Applications, p.251-268

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Application of Parallel Processing to the Simulation of Heart Mechanics

High Performance Computing Systems and Applications, p.30-47

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Generalized oscillator strengths for electronic excitation from the 21S and 23S metastable states of the helium atom

Journal of electron spectroscopy and related phenomena, 2003-03, Vol.129 (1), p.9-26

2003

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Generalized oscillator strengths for electronic excitation from the 2 1S and 2 3S metastable states of the helium atom

Journal of electron spectroscopy and related phenomena, 2003, Vol.129 (1), p.9-26

2003

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Quadrupole oscillator strengths for the helium isoelectronic sequence: n 1 S- m 1 D, n 3 S- m 3 D, n 1 P- m 1 P, and n 3 P- m 3 P transitions with n <7 and m <7

Journal of physics. B, Atomic, molecular, and optical physics, 2002-01, Vol.35 (2), p.421-435

2002

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Direct Numerical Simulation of Fully-Developed Turbulent Channel Flow Using the Lattice Boltzmann Method and Analysis of OpenMP Scalability

High Performance Computing Systems and Applications, p.1-19

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IO Pattern Characterization of HPC Applications

High Performance Computing Systems and Applications, p.292-303

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Electrokinetic flow of an aqueous electrolyte in amorphous silica nanotubes

How Are Completely Desolvated Ions Produced in Electrospray Ionization: Insights from Molecular Dynamics Simulations

Algorithms for GPU-based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals

Characterization of microstructured fibre emitters: in pursuit of improved nano electrospray ionization performance

Molecular Dynamics Simulations to Examine Structure, Energetics, and Evaporation/Condensation Dynamics in Small Charged Clusters of Water or Methanol Containing a Single Monatomic Ion

Solvation of Phenylglycine- and Leucine-Derived Chiral Stationary Phases: Molecular Dynamics Simulation Study

Chiral Discrimination of a Proline-Based Stationary Phase: Adhesion Forces and Calculated Selectivity Factors

Solvent Induced Adhesion Interactions between Dichlorotriazine Films

Manipulation of Liquid Crystals by an Orienting Force in MD Simulations

Solvation of the N-(1-Phenylethyl)-N‘-[3-(triethoxysilyl)propyl]-urea Chiral Stationary Phase in Mixed Alcohol/Water Solvents

Electrokinetic flow of an aqueous electrolyte in amorphous silica nanotubes

High Performance Computing Systems and Applications: 23rd International Symposium, HPCS 2009, Kingston, Ontario, Canada, June 14-17, 2009, Revised Selected Papers

The Implementation of Polarizable and Flexible Models in Molecular Dynamics Simulations

Case Study of Scientific Data Processing on a Cloud Using Hadoop

First Born differential cross-sections for electronic excitation in the helium atom

OpenMP Parallelization of a Mickens Time-Integration Scheme for a Mixed-Culture Biofilm Model and Its Performance on Multi-core and Multi-processor Computers

Modeling the Interactions between Poly(N-Vinylpyrrolidone) and Gas Hydrates: Factors Involved in Suppressing and Accelerating Hydrate Growth

Domain Decomposition of Stochastic PDEs: A Novel Preconditioner and Its Parallel Performance

Application of Parallel Processing to the Simulation of Heart Mechanics

Generalized oscillator strengths for electronic excitation from the 21S and 23S metastable states of the helium atom

Generalized oscillator strengths for electronic excitation from the 2 1S and 2 3S metastable states of the helium atom

Quadrupole oscillator strengths for the helium isoelectronic sequence: n 1 S- m 1 D, n 3 S- m 3 D, n 1 P- m 1 P, and n 3 P- m 3 P transitions with n <7 and m <7

Direct Numerical Simulation of Fully-Developed Turbulent Channel Flow Using the Lattice Boltzmann Method and Analysis of OpenMP Scalability

IO Pattern Characterization of HPC Applications

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