David Dubbeldam

David Dubbeldam

UvA Researchers Collaborate on New Handbook of Porous Materials

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A group of authors including researchers and alumni from the Van ‘t Hoff Institute for Molecular Sciences (HIMS) have just completed a four-volume reference work covering the fundamentals and key applications of porous materials. This “Handbook of Porous Materials” will be published in November by World Scientific Publishers in a digital and a print edition.

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BRICK-CFCMC, a New Monte Carlo Simulation Code for Forcefield Based Simulations in Open Ensembles

Announcement / By /

Brick-CFCM is new molecular simulation code for performing Monte Carlo simulations using state-of-the-art simulation techniques. The Continuous Fractional Component (CFC) method is implemented for simulations in the NVT/NPT ensembles, the Gibbs Ensemble, the Grand-Canonical Ensemble, and the Reaction Ensemble.

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Advances, Updates, and Analytics for CoRE MOF 2019

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Over 14,000 porous, three-dimensional metal–organic framework structures are compiled and analyzed as a part of an update to the Computation-Ready, Experimental Metal–Organic Framework Database (CoRE MOF Database). The updated database includes additional structures that were contributed by CoRE MOF users, obtained from updates of the Cambridge Structural Database and a Web of Science search.

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iRASPA Available in the Linux Store

Announcement / By /

iRASPA is a visualization package (with editing capabilities) aimed at material science. Examples of materials are metals, metal-oxides, ceramics, biomaterials, zeolites, clays, and metal-organic frameworks. iRASPA leverages the latest visualization technologies with stunning performance. iRASPA extensively utilizes GPU computing. It is now available for Linux.

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iRASPA available in the Window Store

Announcement / By /

iRASPA is a visualization package (with editing capabilities) aimed at material science. Examples of materials are metals, metal-oxides, ceramics, biomaterials, zeolites, clays, and metal-organic frameworks. iRASPA leverages the latest visualization technologies with stunning performance. iRASPA extensively utilizes GPU computing. It is now available for Windows 10.

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