Polymatic: a generalized simulated polymerization algorithm for amorphous polymers
Published 2013 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Polymatic: a generalized simulated polymerization algorithm for amorphous polymers
Authors
Keywords
Molecular simulations, Glassy polymers, Simulated polymerization, Equilibration
Journal
THEORETICAL CHEMISTRY ACCOUNTS
Volume 132, Issue 3, Pages -
Publisher
Springer Nature
Online
2013-01-28
DOI
10.1007/s00214-013-1334-z
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Analysis of force fields and BET theory for polymers of intrinsic microporosity
- (2013) Kyle E. Hart et al. MOLECULAR SIMULATION
- Characterizing the Structure of Organic Molecules of Intrinsic Microporosity by Molecular Simulations and X-ray Scattering
- (2012) Lauren J. Abbott et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Directed Diffusion Approach for Preparing Atomistic Models of Crosslinked Epoxy for Use in Molecular Simulations
- (2012) Ketan S. Khare et al. MACROMOLECULAR THEORY AND SIMULATIONS
- Relative Reactivity Volume Criterion for Cross-Linking: Application to Vinyl Ester Resin Molecular Dynamics Simulations
- (2012) Changwoon Jang et al. MACROMOLECULES
- Atomistic molecular dynamics study of cross-linked phenolic resins
- (2012) Atsushi Izumi et al. Soft Matter
- Neutron scattering and molecular dynamics simulations: synergetic tools to unravel structure and dynamics in polymers
- (2012) Arantxa Arbe et al. Soft Matter
- A Molecular Dynamic Simulation of Crosslinking of Bisphenol and Triazine by United Atom Model: A Polycyanurate Model
- (2011) Taketo Ikeno et al. CHEMISTRY LETTERS
- Gas Permeation and Separation in Functionalized Polymers of Intrinsic Microporosity: A Combination of Molecular Simulations and Ab Initio Calculations
- (2011) Weijie Fang et al. Journal of Physical Chemistry C
- Atomistic Structure Generation and Gas Adsorption Simulations of Microporous Polymer Networks
- (2011) Lauren J. Abbott et al. MACROMOLECULES
- Multiscale Simulation Study on the Curing Reaction and the Network Structure in a Typical Epoxy System
- (2011) Hong Liu et al. MACROMOLECULES
- Molecular Simulations of PIM-1-like Polymers of Intrinsic Microporosity
- (2011) Gregory S. Larsen et al. MACROMOLECULES
- Computational structure characterisation tools in application to ordered and disordered porous materials
- (2011) Lev Sarkisov et al. MOLECULAR SIMULATION
- Modeling Amorphous Porous Materials and Confined Fluids
- (2011) Lev D. Gelb MRS BULLETIN
- ISAACS– interactive structure analysis of amorphous and crystalline systems
- (2010) Sébastien Le Roux et al. JOURNAL OF APPLIED CRYSTALLOGRAPHY
- Reactive Molecular Dynamics with Material-Specific Coarse-Grained Potentials: Growth of Polystyrene Chains from Styrene Monomers
- (2010) Karim Farah et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Evaluation of the BET Method for Determining Surface Areas of MOFs and Zeolites that Contain Ultra-Micropores
- (2010) Youn-Sang Bae et al. LANGMUIR
- Exploitation of Intrinsic Microporosity in Polymer-Based Materials
- (2010) Neil B. McKeown et al. MACROMOLECULES
- Structural Characterization of a Polymer of Intrinsic Microporosity: X-ray Scattering with Interpretation Enhanced by Molecular Dynamics Simulations
- (2010) Amanda G. McDermott et al. MACROMOLECULES
- Polymers of intrinsic microporosity for gas permeation: a molecular simulation study
- (2010) Weijie Fang et al. MOLECULAR SIMULATION
- Molecular simulations of crosslinking process of thermosetting polymers
- (2010) Chunyu Li et al. POLYMER
- Molecular dynamics simulations of glassy polymers
- (2010) Jean-Louis Barrat et al. Soft Matter
- Quenched solid density functional theory and pore size analysis of micro-mesoporous carbons
- (2009) Alexander V. Neimark et al. CARBON
- PACKMOL: A package for building initial configurations for molecular dynamics simulations
- (2009) L. Martínez et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Gas transport behavior of mixed-matrix membranes composed of silica nanoparticles in a polymer of intrinsic microporosity (PIM-1)
- (2009) Juhyeon Ahn et al. JOURNAL OF MEMBRANE SCIENCE
- Molecular Dynamics Simulation of Intramolecular Cross-Linking of BCB/Styrene Copolymers
- (2009) J. W. Liu et al. MACROMOLECULES
- Multiscale simulation of soft matter systems – from the atomistic to the coarse-grained level and back
- (2009) Christine Peter et al. Soft Matter
- Gas Separation, Free Volume Distribution, and Physical Aging of a Highly Microporous Spirobisindane Polymer
- (2008) Chad L. Staiger et al. CHEMISTRY OF MATERIALS
- Atomistic packing model and free volume distribution of a polymer with intrinsic microporosity (PIM-1)
- (2008) Matthias Heuchel et al. JOURNAL OF MEMBRANE SCIENCE
- Investigation of the fundamental differences between polyamide-imide (PAI) and polyetherimide (PEI) membranes for isopropanol dehydration via pervaporation
- (2008) Yan Wang et al. JOURNAL OF MEMBRANE SCIENCE
- Polymers of Intrinsic Microporosity Containing Trifluoromethyl and Phenylsulfone Groups as Materials for Membrane Gas Separation†
- (2008) Naiying Du et al. MACROMOLECULES
- A Molecular Dynamics Study of Epoxy-Based Networks: Cross-Linking Procedure and Prediction of Molecular and Material Properties
- (2008) Vikas Varshney et al. MACROMOLECULES
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now