Materials Map

Discover the materials research landscape. Find experts, partners, networks.

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The Materials Map is an open tool for improving networking and interdisciplinary exchange within materials research. It enables cross-database search for cooperation and network partners and discovering of the research landscape.

The dashboard provides detailed information about the selected scientist, e.g. publications. The dashboard can be filtered and shows the relationship to co-authors in different diagrams. In addition, a link is provided to find contact information.

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Materials Map under construction

The Materials Map is still under development. In its current state, it is only based on one single data source and, thus, incomplete and contains duplicates. We are working on incorporating new open data sources like ORCID to improve the quality and the timeliness of our data. We will update Materials Map as soon as possible and kindly ask for your patience.

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in Cooperation with on an Cooperation-Score of 37%

Topics

Publications (1/1 displayed)

  • 2010Effective Monte Carlo scheme for multicomponent gas adsorption and enantioselectivity in nanoporous materials14citations

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Chart of shared publication
Calero, Sofía
1 / 34 shared
Caremans, Tom P.
1 / 1 shared
Dubbeldam, David
1 / 8 shared
Martens, Johan A.
1 / 12 shared
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2010

Co-Authors (by relevance)

  • Calero, Sofía
  • Caremans, Tom P.
  • Dubbeldam, David
  • Martens, Johan A.
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article

Effective Monte Carlo scheme for multicomponent gas adsorption and enantioselectivity in nanoporous materials

  • Calero, Sofía
  • Caremans, Tom P.
  • Dubbeldam, David
  • Martens, Johan A.
  • Erp, Titus S. Van
Abstract

<p>We devise an efficient Monte Carlo scheme to study the adsorption of a multicomponent gas in a nanoporous material. The configurational bias move is extended by a novel replica exchange procedure where the configurations of the different simulations describing one particular gas content are being swapped. For chiral mixtures, the efficiency can be further improved using the chiral inversion move. The method is demonstrated for an Ising-type model and a complicated realistic zeolite system.</p>

Topics
  • impedance spectroscopy
  • simulation