- David van der Spoel Friday, 06 December 2019
More Alexandria Updates
Tuesday, 10 September 2019
The Alexandria project moves forward. With publications last year of components of the force field (Ghahremanpour et al. 140) and indeed an entire polarizable force field for alkali halides (Walz et al. 141). The latter has now been in a number of application papers (Walz and Van der Spoel, 146, 147) with one more paper underway. Mohammad succesfully defended his Ph.D. thesis in may of this year. A new researcher, Henning Henschel joined the lab to work on Alexandria as well, so keep posted for more news soon.
Alexandria Published and Praised
Monday, 16 April 2018
"The Alexandria Library: A Quantum-Chemical Database of Molecular Properties for Force Field Development" was published recently in Nature Scientific Data. Mohammad Ghahremanpour made a poster about it for the IBBI2018 conference and won a poster prize. Now we are preparing the next few papers in the series.
Paper distribution
Wednesday, 04 January 2017

A classification of David's papers into categories yields the following division.

Pie chart of journal categories

Hot papers
Tuesday, 08 April 2014
Two of our recent papers received som extra PR. The review about Thiamin by Sergio Manzetti et al. is featured on Global Medical Discovery while the most recent paper about atmospheric chemistry by Jochen Hub et al. is featured on the back cover of the Chemical Science journal.
People and Papers
Saturday, 08 February 2014
Time flies! Under 2013 Moreno Marcellini came over from the chemistry department as a postdoc, but by the time I write this his contract has run out already, though we still have a number of projects running, mainly related to MD with refinement of Small Ange X-ray scattering data. Jin Zhang joined the group for a year (from september 2013) as a guest from Zhejiang University. She already participated on two published papers and is now working on membrane proteins. There are also two students, Marcelo and Yugandhar in the group presently, for short term projects. Papers are ticking in on the publication list too.

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(c) 2006 David van der Spoel