Free energy calculations of small molecules in dense amorphous polymers. Effect on the initial guess configuration in molecular dynamics studies

The excess free energy of small molecules in the amorphous polymers poly(ethylene) and poly(dimethylsiloxane) was calculated, using the test-particle-insertion method. The method was applied to polymer configurations obtained from molecular dynamics simulations with differently prepared initial guess configurations. It was found that the calculated solubility coefficients strongly depend on the quality of the initial guess configuration. Slow compression of dilute systems, during which process only the repulsive parts of the nonbonded Lennard-Jones potentials are taken into account, yields polymer melts which are better relaxed, and which offer lower solubilities for guest molecules compared with polymer melts generated at the experimental density or prepared by compressing boxes with soft-core nonbonded potentials. For the last two methods initial stresses relax by straining the internal modes (bond angles, torsion angles) of the chain

RAGE Architecture for Reusable Serious Gaming Technology Components

For seizing the potential of serious games, the RAGE project - funded by the Horizon-2020 Programme of the European Commission - will make available an interoperable set of advanced technology components (software assets) that support game studios at serious game development. This paper describes the overall software architecture and design conditions that are needed for the easy integration and reuse of such software assets in existing game platforms. Based on the component-based software engineering paradigm the RAGE architecture takes into account the portability of assets to different operating systems, different programming languages and different game engines. It avoids dependencies on external software frameworks and minimizes code that may hinder integration with game engine code. Furthermore it relies on a limited set of standard software patterns and well-established coding practices. The RAGE architecture has been successfully validated by implementing and testing basic software assets in four major programming languages (C#, C++, Java and Typescript/JavaScript, respectively). A demonstrator implementation of asset integration with an existing game engine was created and validated. The presented RAGE architecture paves the way for large scale development and application of cross-engine reusable software assets for enhancing the quality and diversity of serious gaming.This study is part of the RAGE project. The RAGE project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 644187. This publication reflects only the author's view. The European Commission is not responsible for any use that may be made of the information it contains

Masterclass 'Peer-to-peer technology'

Op 20 juni 2002 is een start gemaakt met een serie masterclasses die vanuit de diverse werkpakketten binnen het development programma worden georganiseerd. Doel van deze masterclasses is het informeren en scholen van de medewerkers van het development programma op gebieden die essentieel en relevant zijn voor een goed functioneren binnen het development programma. Deze masterclass, 'peer-to-peer netwerken', is georganiseerd vanuit werkpakket 2 van het development programma. Er worden de eerste resultaten gepresenteerd van een studie naar de technische mogelijkheden en knelpunten die deze technologie met zich meebrengt. Doel van deze masterclass is de leden van het development programma op de hoogte te brengen van deze concepten, omdat verwacht wordt dat deze technologie een centrale rol zal gaan spelen binnen het development programma

Software Components for Serious Game Development

The presentation explains the approach of the RAGE project. It presents three examples of RAGE software components and how these can be easily reused for applied game development.This study is part of the RAGE project. The RAGE project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 644187. This publication reflects only the author's view. The European Commission is not responsible for any use that may be made of the information it contains