- David van der Spoel Thursday, 21 November 2019
Wednesday, 28 May 2008
The rector of Uppsala University decided, yesterday, May 27th 2008, to promote David van der Spoel to Professor in Biology, with specialization in Computational Molecular Biophysics, starting from June 1st 2008.
Melting Ice with a Laser
Saturday, 05 January 2008

A new paper by Carl Caleman and David van der Spoel has just been published (on-line) in Angewandte Chemie . The paper describes siumulatios of  the melting of ice by a laser pulse. The laser deposites energy in the OH bond-stretching, and this excitation is tranferred into melting a few ps after the pulse. The paper is in the VIP (Very Important  Paper) category according to  the two referees  (less than 5% of  papers in Angewandte reach this status), and it will be featured on the cover of the printed edition in February 2008. A movie from the simulations is available here .

Some coverage in the popular press of this paper is here (Swedish):

 And international:

REMD Temperature generator
Saturday, 29 December 2007
The temperature generator for replica exchange molecular dyamics simulations developed by Alexandra Patriksson & David van der Spoel is nearing completion. Please try it out.
Friday, 30 November 2007

The group recently got a prestigious grant from the DEISA (ditributed european infrastructure for supercomputing applications) organization in collaboration with groups from Groningen, Stockholm, Gottingen, Kuopio and London. According to the proposal, entitled XXL-BioMD, we will perform very large scale molecular dynamics simulations using (predominantly) the GROMACS MD code. A press release from DEISA is here

JPCB Letter
Sunday, 04 November 2007
Alexandra's new paper "A Direct Comparison of Protein Structure in the Gas and Solution Phase: the Trp-cage" has appeared as a letter in J. Phys. Chem. B. It features the structural comparison of a small protein in gas and solution phase, after we determined that the charge states are identical. The paper also features semi-empirical energy calculations of these 300 atom proteins in the gas-phase. 
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(c) 2006 David van der Spoel