Novel approaches to multiscale modelling in materials science

The future of microprocessors

(2011) Shekhar Borkar et al.   COMMUNICATIONS OF THE ACM

In Situ X-Ray Tomography Studies of Microstructural Evolution Combined with 3D Modeling

(2011) J.-Y. Buffière et al.   MRS BULLETIN

Solid-State Ionics in the 21st Century: Current Status and Future Prospects

(2011) Sangtae Kim et al.   MRS BULLETIN

Structural Control of Crystal Nuclei by an Eggshell Protein

(2010) Colin L. Freeman et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Coupling different levels of resolution in molecular simulations

(2010) Simón Poblete et al.   JOURNAL OF CHEMICAL PHYSICS

Mesoscale Modeling of Hydrated Morphologies of 3M Perfluorosulfonic Acid-Based Fuel Cell Electrolytes

(2010) Dongsheng Wu et al.   LANGMUIR

In situ 3D X-ray microtomography study comparing auxetic and non-auxetic polymeric foams under tension

(2010) Samuel A. McDonald et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Rate theory description of atomic stick-slip friction

(2010) Danny Perez et al.   PHYSICAL REVIEW B

Current issues in research on structure–property relationships in polymer nanocomposites

(2010) J. Jancar et al.   POLYMER

Modelling percolation in fibre and sphere mixtures: Routes to more efficient network formation

(2009) Sameer S. Rahatekar et al.   COMPOSITES SCIENCE AND TECHNOLOGY

Metadynamics simulations of calcite crystallization on self-assembled monolayers

(2009) D. Quigley et al.   JOURNAL OF CHEMICAL PHYSICS

Versatile Object-Oriented Toolkit for Coarse-Graining Applications

(2009) Victor Rühle et al.   Journal of Chemical Theory and Computation

Advances in Discrete Dislocations Dynamics and Multiscale Modeling

(2009) S. Groh et al.   JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME

Effect of Molecular Weight on Hydrated Morphologies of the Short-Side-Chain Perfluorosulfonic Acid Membrane

(2009) Dongsheng Wu et al.   MACROMOLECULES

A unified framework and performance benchmark of fourteen multiscale atomistic/continuum coupling methods

(2009) Ronald E Miller et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Phase-field models in materials science

(2009) Ingo Steinbach   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Biomimetic design of materials and biomaterials inspired by the structure of nacre

(2009) G. M Luz et al.   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Monte Carlo Simulation of Coarse Grain Polymeric Systems

(2009) François A. Detcheverry et al.   PHYSICAL REVIEW LETTERS

Hybrid atomistic simulation methods for materials systems

(2009) N Bernstein et al.   REPORTS ON PROGRESS IN PHYSICS

Low-Speed Atomistic Simulation of Stick–Slip Friction using Parallel Replica Dynamics

(2009) Ashlie Martini et al.   TRIBOLOGY LETTERS

Discrete particle simulation of particulate systems: A review of major applications and findings

(2008) H.P. Zhu et al.   CHEMICAL ENGINEERING SCIENCE

Computational Techniques at the Organic−Inorganic Interface in Biomineralization

(2008) John H. Harding et al.   CHEMICAL REVIEWS

Simulation approaches to soft matter: Generic statistical properties vs. chemical details

(2008) Matej Praprotnik et al.   COMPUTER PHYSICS COMMUNICATIONS

A comparative study of the hydrated morphologies of perfluorosulfonic acid fuel cell membranes with mesoscopic simulations

(2008) Dongsheng Wu et al.   Energy & Environmental Science

CFD SIMULATION OF FLOW THROUGH AN OPEN CELL FOAM

(2008) G. TABOR et al.   INTERNATIONAL JOURNAL OF MODERN PHYSICS C

Computer simulation study of a single polymer chain in an attractive solvent

(2008) Dmytro Antypov et al.   JOURNAL OF CHEMICAL PHYSICS

Free energy and structure of calcium carbonate nanoparticles during early stages of crystallization

(2008) D. Quigley et al.   JOURNAL OF CHEMICAL PHYSICS

Wang−Landau Simulation of Polymer−Nanoparticle Mixtures

(2008) Dmytro Antypov et al.   MACROMOLECULES

Monte Carlo Simulations of a Coarse Grain Model for Block Copolymers and Nanocomposites

(2008) François A. Detcheverry et al.   MACROMOLECULES

Structures at high pressure from random searching

(2008) C. J. Pickard et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Hierarchical Assembly of Nanoparticle Superstructures from Block Copolymer-Nanoparticle Composites

(2008) Huiman Kang et al.   PHYSICAL REVIEW LETTERS

Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

(2008) Alessandro Laio et al.   REPORTS ON PROGRESS IN PHYSICS

Multiscale Simulation of Soft Matter: From Scale Bridging to Adaptive Resolution

(2007) Matej Praprotnik et al.   Annual Review of Physical Chemistry

Multiscale modeling and simulation of polymer nanocomposites

(2007) Q.H. Zeng et al.   PROGRESS IN POLYMER SCIENCE