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Mechanism and microkinetics of the Fischer―Tropsch reaction

Physical chemistry chemical physics : PCCP, 2013-01, Vol.15 (40), p.17038-17063

2013

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The Bilayer−Vesicle Transition Is Entropy Driven

The journal of physical chemistry. B, 2005-12, Vol.109 (47), p.22649-22654

2005

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A Detailed Look at Vesicle Fusion

The journal of physical chemistry. B, 2006-07, Vol.110 (26), p.13212-13219

2006

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Vesicle Deformation by Draining: Geometrical and Topological Shape Changes

The journal of physical chemistry. B, 2009-06, Vol.113 (25), p.8731-8737

2009

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Vesicle Shapes from Molecular Dynamics Simulations

The journal of physical chemistry. B, 2006-11, Vol.110 (45), p.22780-22785

2006

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Lipid-Based Mechanisms for Vesicle Fission

The journal of physical chemistry. B, 2007-05, Vol.111 (20), p.5719-5725

2007

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Coarse-Grained Transmembrane Proteins: Hydrophobic Matching, Aggregation, and Their Effect on Fusion

The journal of physical chemistry. B, 2006-07, Vol.110 (27), p.13614-13623

2006

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Coarse-grained simulations of poly(propylene imine) dendrimers in solution

The Journal of chemical physics, 2016-02, Vol.144 (7), p.074903-074903

2016

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Heat Transfer Predictions for Micro-/Nanochannels at the Atomistic Level Using Combined Molecular Dynamics and Monte Carlo Techniques

Journal of heat transfer, 2009-03, Vol.131 (3), p.033104 (8 )-033104 (8 )

2009

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Deviations of the results for the properties of a dense hard- sphere gas near the walls of a micro channel using the hybrid molecular dynamics- : Monte Carlo simulation method

International journal of thermal sciences, 2006-12, Vol.45 (12), p.1197-1204

2006

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Laterally coupled jellium-like two-dimensional quantum dots

Journal of physics. Condensed matter, 2003-10, Vol.15 (41), p.6977-6984, Article 6977

2003

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Coarse-grained modelling of urea-adamantyl functionalised poly(propylene imine) dendrimers

Molecular simulation, 2016-07, Vol.42 (11), p.882-895

2016

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Fully local orbital-free calculation of electronic structure using pseudopotentials

Physica. B, Condensed matter, 2003-12, Vol.339 (2), p.119-129

2003

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Molecular dynamics study of the influence of wall-gas interactions on heat flow in nanochannels

Physical review. E, Statistical, nonlinear, and soft matter physics, 2005-06, Vol.71 (6 Pt 2), p.066702-066702, Article 066702

2005

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Estimating ground-state properties of quantum dot arrays using a local Thomas-Fermi-Dirac approximation

The European physical journal. B, Condensed matter physics, 2001-09, Vol.23 (1), p.103-106

2001

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Comparison of Molecular Dynamics and Kinetic Modeling of Gas-Surface Interaction

Rarefied Gas Dynamics (AIP Conference Proceedings Volume 1084), 2009, Vol.1084, p.635-640

2009

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Hybrid Molecular Dynamics-Monte Carlo Simulations for the properties of a dense and dilute hard-sphere gas in a microchannel

Rarefied Gas Dynamics: 24th International Symposium on Rarefied Gas Dynamics RGD24, 2005, Vol.762, p.767-773

2005

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Hybrid method coupling molecular dynamics and Monte Carlo simulations to study the properties of gases in microchannels and nanochannels

Physical review. E, Statistical, nonlinear, and soft matter physics, 2005-07, Vol.72 (1 Pt 2), p.016705-016705, Article 016705

2005

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Gas-surface interactions using accommodation coefficients for a dilute and a dense gas in a micro- or nanochannel: heat flux predictions using combined molecular dynamics and Monte Carlo techniques

Physical review. E, Statistical, nonlinear, and soft matter physics, 2014-05, Vol.89 (5), p.053012-053012, Article 053012

2014

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Implicit particle wall boundary condition in molecular dynamics

Proceedings of the Institution of Mechanical Engineers. Part C, Journal of mechanical engineering science, 2008-05, Vol.222 (5), p.855-864

2008

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Local Thomas–Fermi approximation for modeling the electronic structure of planar devices

Physica. B, Condensed matter, 2003, Vol.325 (1-4), p.149-156

2003

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Mechanism and microkinetics of the Fischer-Tropsch reactionElectronic supplementary information (ESI) available. See DOI: 10.1039/c3cp52506f

2013-09

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Molecular Dynamics and Monte Carlo Simulations for Heat Transfer in Micro and Nano-channels

Computational Science - ICCS 2004, p.661-666

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The increase of energy confinement by the use of heavy-gas end plugs

Plasma physics, 1978-03, Vol.20 (3), p.279-285, Article 279

1978

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Methods for Multiscale Modeling of Membranes

Advances in Planar Lipid Bilayers and Liposomes, 2012, Vol.15, p.139-170

2012

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Mechanism and microkinetics of the Fischer―Tropsch reaction

The Bilayer−Vesicle Transition Is Entropy Driven

A Detailed Look at Vesicle Fusion

Vesicle Deformation by Draining: Geometrical and Topological Shape Changes

Vesicle Shapes from Molecular Dynamics Simulations

Lipid-Based Mechanisms for Vesicle Fission

Coarse-Grained Transmembrane Proteins: Hydrophobic Matching, Aggregation, and Their Effect on Fusion

Coarse-grained simulations of poly(propylene imine) dendrimers in solution

Heat Transfer Predictions for Micro-/Nanochannels at the Atomistic Level Using Combined Molecular Dynamics and Monte Carlo Techniques

Deviations of the results for the properties of a dense hard- sphere gas near the walls of a micro channel using the hybrid molecular dynamics- : Monte Carlo simulation method

Laterally coupled jellium-like two-dimensional quantum dots

Coarse-grained modelling of urea-adamantyl functionalised poly(propylene imine) dendrimers

Fully local orbital-free calculation of electronic structure using pseudopotentials

Molecular dynamics study of the influence of wall-gas interactions on heat flow in nanochannels

Estimating ground-state properties of quantum dot arrays using a local Thomas-Fermi-Dirac approximation

Comparison of Molecular Dynamics and Kinetic Modeling of Gas-Surface Interaction

Hybrid Molecular Dynamics-Monte Carlo Simulations for the properties of a dense and dilute hard-sphere gas in a microchannel

Hybrid method coupling molecular dynamics and Monte Carlo simulations to study the properties of gases in microchannels and nanochannels

Gas-surface interactions using accommodation coefficients for a dilute and a dense gas in a micro- or nanochannel: heat flux predictions using combined molecular dynamics and Monte Carlo techniques

Implicit particle wall boundary condition in molecular dynamics

Local Thomas–Fermi approximation for modeling the electronic structure of planar devices

Mechanism and microkinetics of the Fischer-Tropsch reactionElectronic supplementary information (ESI) available. See DOI: 10.1039/c3cp52506f

Molecular Dynamics and Monte Carlo Simulations for Heat Transfer in Micro and Nano-channels

The increase of energy confinement by the use of heavy-gas end plugs

Methods for Multiscale Modeling of Membranes

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