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February 2011
Uppsala: The eSSENCE of . . . COMPUTATIONAL & THEORETICAL CHEMISTRY
Theoretical calculations and computer simulations make a strong field within Chemistry. Many researchers at different departments at UU are involved in such activities. We will start a forum on the general theme of The eSSENCE of . . . COMPUTATIONAL & THEORETICAL CHEMISTRY and try to meet regularly and discuss applications as well as more method-oriented issues within computational/theoretical chemistry. ****************************************************** First meeting: 15.15 - 16.15 on Tuesday 15 February 2011 Two speakers 2 x 20 minutes + discussions. David…
Find out more »March 2011
Uppsala: The eSSENCE of . . . COMPUTATIONAL & THEORETICAL CHEMISTRY
The second meeting about The eSSENCE of . . . COMPUTATIONAL & THEORETICAL CHEMISTRY will take place on Wednesday this week. Details below. ******************************************************* Time: 15.15 - 16.15 Wednesday 23 March 2011 Room: Ångström 2004 Contents: Two speakers 2 x 20 minutes + discussions 1. Quantum chemistry calculations: Roland Lindh: "The use of MCSCF in molecular calculations." 2. Classical computer simulations: Wim Briels: "The use of coarse grain models for soft matter (lipids, polymers and colloids)" Refreshments will be served…
Find out more »May 2011
Uppsala: The eSSENCE of . . . COMPUTATIONAL & THEORETICAL CHEMISTRY
The next meeting in the series The eSSENCE of . . . COMPUTATIONAL & THEORETICAL CHEMISTRY will take place on Thursday 19 May. Details below. ******************************************************* Time: 15.15 - 16.15 Thursday 19 May 2011 Room: Ångström 2005 Contents: Two speakers 2 x 20 minutes + discussion about expt-theory 1. Jan Davidsson: "Visualizing chemical dynamics in solution using time-resolved X-ray scattering and computational chemistry" 2. Daniel Spångberg: "Shell-model polarizable force-fields for solvents and solvated ions from ab initio calculations." 3. Short…
Find out more »October 2011
Uppsala: The eSSENCE of . . . COMPUTATIONAL & THEORETICAL CHEMISTRY
Another meeting in the series The eSSENCE of . . . COMPUTATIONAL & THEORETICAL CHEMISTRY will take place tomorrow. Details below. ******************************************************* Time: 15.15 - 16.15 Wednesday 5 October 2011 Room: Ångström 2004 Contents: Two speakers 2 x 20 minutes + discussion 1. Felix Ho, "A combined in silico and in vivo study of a putative proton channel in the water splitting enzyme Photosystem II" 2. Henrik Ottosson: "Aromaticity and antiaromaticity: Fluffy organic chemistry concepts, or something more?" Refreshments will…
Find out more »February 2012
Uppsala: The eSSENCE of . . . COMPUTATIONAL & THEORETICAL CHEMISTRY
Another seminar in the series The eSSENCE of . . . COMPUTATIONAL & THEORETICAL CHEMISTRY will take place 15 February. Details below. Prelminary times for the other seminars this spring are: Wednesday 21/3, Thursday 19/4, Wednesday 23/5 ******************************************************* Time: 16.15 Wednesday 15 February 2012 Room: Ångström 12167 Contents: Two speakers 2 x (~20 + 5) minutes 1. Marcus Lundberg: "Probing transition-metal bonds using theoretical models of X-ray spectra." 2. Anders Karlén: "Virtual screening in drug discovery." 3. Short discussion about…
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