Diffusion of small molecules in disordered media: study of the effect of kinetic and spatial heterogeneities

Chemical Engineering Science (p. 2789-2801) - 1/1/2001

10.1016/s0009-2509(00)00510-8 Ver en origen

• ISSN 00092509

• iMarina

A novel Monte Carlo scheme for the rapid equilibration of atomistic model polymer systems of precisely defined molecular architecture

Physical Review Letters - 1/1/2002

10.1103/physrevlett.88.105503 Ver en origen

• ISSN 00319007

• iMarina
• iMarina

Atomistic Monte Carlo simulation of strictly monodisperse long polyethylene melts through a generalized chain bridging algorithm

Journal Of Chemical Physics (p. 5465-5479) - 1/1/2002

10.1063/1.1499480 Ver en origen

• ISSN 00219606

• iMarina

An advanced Monte Carlo method for the equilibration of model long-chain branched polymers with a well-defined molecular architecture: Detailed atomistic simulation of an H-shaped polyethylene melt

Journal Of Chemical Physics (p. 2451-2454) - 1/1/2003

10.1063/1.1543580 Ver en origen

• ISSN 00219606

• iMarina

Self-consistent-field study of compressible semiflexible melts adsorbed on a solid substrate and comparison with atomistic simulations

Macromolecules (p. 7134-7149) - 1/1/2005

10.1021/ma050218b Ver en origen

• ISSN 00249297

• iMarina

Hierarchical modeling of the dynamics of polymers with a nonlinear molecular architecture: Calculation of branch point friction and chain reptation time of H-shaped polyethylene melts from long molecular dynamics simulations

Macromolecules (p. 8583-8596) - 1/1/2005

10.1021/ma050989f Ver en origen

• ISSN 00249297

• iMarina

Atomistic Molecular Dynamics simulation of short-chain branched polyethylene melts

Computer Aided Chemical Engineering (p. 333-357) - 1/1/2006

• ISSN 15707946

• iMarina

Advanced Monte Carlo Methods for the atomistic simulation of polymers with a linear or a non-linear molecular architecture

Computer Aided Chemical Engineering (p. 31-67) - 1/1/2006

• ISSN 15707946

• iMarina

Detailed Atomistic Simulation of the Barrier Properties of Linear and Short-Chain Branched Polyethylene Melts Through a Hierarchical Modeling Approach

Computer Aided Chemical Engineering (p. 201-239) - 1/1/2006

• ISSN 15707946

• iMarina

Min-map bias Monte Carlo for chain molecules: Biased Monte Carlo sampling based on bijective minimum-to-minimum mapping

Journal Of Chemical Physics - 6/11/2006

10.1063/1.2359442 Ver en origen

• ISSN 00219606

• iMarina

Detailed Atomistic Simulation of the barrier properties of linear and short-chain branched polyethylene melts through a hierarchical modelling approach

Computer Aided Chemical Engineering (p. 201-240) - 1/1/2006

• ISSN 15707946

• iMarina

Study of diffusion in disordered media. Effect of kinetic and spatial heterogeneties

27/5/1999

• iMarina

Effects of Jump Rate Distribution and Spatial Heterogeneity on diffusion of small molecules in disordered media

13/11/2000

• iMarina

Parallel programming in supercomputers through MPI

16/6/2000

• iMarina

An advanced Monte Carlo method for the fast equilibration of non-linear, H-shaped polyethylene melts

15/9/2002

• iMarina

An advanced Monte Carlo Algorithm for the fast equilibration of atomistic models of H-shaped polyethylene melts

16/11/2003

• iMarina

Study of the segmental dynamics and barrier properties of amorphous PET [poly(ethylene terephthalate)] and PEI [poly(ethylene isophthalate)] through atomistic simulations

16/11/2003

• iMarina

Detailed atomistic simulation of the conformational and dynamical properties of long, multi-arm, H-shaped Polyethylene melts through an advanced hierarchical scheme

29/5/2004

• iMarina

Branch point friction and its role in the dynamics of H-shaped polyethylene melts as probed by long molecular dynamics simulations

27/6/2004

• iMarina

Detailed atomistic simulation of the conformational and dynamic properties of H-shaped polyethylene melts

22/8/2004

• iMarina

Beginning rheology

12/2/2005

• iMarina

Predictive Modeling of Polyester Barrier Properties (BP-Amoco 2225)

Ejecución: Desde 01-01-2000

• iMarina

Dow Chemicals Industrial Project (DBBV-1)

Ejecución: Desde 01-12-2002

• iMarina

"Polymer Modelling at Integrated Time-Length Scales" (G5RD-CT-2002-00720)

Ejecución: 01-08-2002 - 30-11-2002

Importe financiado: 2689675,00 Euros.

• iMarina

"Design and study of heterogenous materials for applications in energy and environmental technologies" (AKMON-61)

Ejecución: 11-12-2004 - 10-05-2005

Tipo: Nacional

Importe financiado: 236000,00 Euros.

• iMarina

DOW Unrestricted Grant (DBBV-2)

Ejecución: Desde 10-12-2005

Tipo: Internacional

Importe financiado: 20000,00 Euros.

• iMarina

"Ayudas para apoyar las líneas de I+D en el programa de creación y consolidación de grupos de investigación de la Universidad Politécnica de Madrid. CAM, Referencia: CCG07-UPM/000-3220"

Ejecución: Desde 01-01-2006

Importe financiado: 27785,00 Euros.

• iMarina

"Designing dyes and pigments for inkjet technology breakthrough (DEDYPINK)" EA-2006-32

Ejecución: 01-02-2006 - 31-01-2007

Importe financiado: 78300,00 Euros.

• iMarina

"Polymer Modelling at Integrated Time-Length Scales" (G5RD-CT-2002-00720)

Ejecución: 01-06-2006 - 31-05-2007

Importe financiado: 2689675,00 Euros.

• iMarina

Multiscale modeling of nanostructured interfaces for biological sensors, MNIBS (NMP3-CT-2005-016375)

Ejecución: 01-06-2008 - 31-12-2008

Tipo: Internacional

Importe financiado: 1300000,00 Euros.

• iMarina

Key Organisation for Research in Integrated Circuits in GaN Technology, KORRIGAN European Understandings for Research Organisation, Programmes and Activities Contract nº 04/102.052/032, CA Nr 2157 V7, Proposal TASFR00266364

Ejecución: Desde 01-01-2009

• iMarina

Polymers Confined Between Plates: A Modeling Study Based on the Concept of Self-Avoiding Random Walks

9/10/2019

• iMarina

Molecular simulation and structural identification of athermal polymers in the bulk and under confinement

26/9/2022

• iMarina

Monte Carlo simulations of crystal polymorphism in polymer-based systems

3/3/2023

• iMarina