Construction in our new space has finished and so yesterday we had a party to celebrate!
In the past two weeks I read two papers from arXiv that present some very interesting new ideas. The first paper, Extended Møller-Plesset perturbation theory for dynamical and static correlations, by Takashi Tsuchimochi and Troy Van Voorhis, deals with symmetry restoration in second-order perturbation theory. The extended MP2 method presented by the authors looks promising and I found it very interesting because it can automatically adapt to single- and multireference problems. At the very end of the paper the authors even show that their technique can be used to compute excited states.
The second one,Compact wavefunctions from compressed imaginary time evolution, is from Jarrod R. McClean and Alán Aspuru-Guzik. This paper mixes compression techniques with a propagation of the Schrödinger equation in imaginary time to compute the ground state energy.
Once in a while you stumble in a good book, and for me recently that was Applied Analysis by Cornelius Lanczos, published by Dover Books. This is a little gem of numerical analysis, and although it is a bit outdated, it is a book full of interesting tidbits of knowledge.
I recently decided that I ought to have a canonical set of colors to use in my publications and so I came up with the following seven colors:
Here are gnuplot definitions of lines using these colors. Feel free to use this set, and if you have suggestion on how to improve it, let me know!
# Canonical colors - full line
set style line 1 lc rgb '#000000' lt 1 lw 3.0 ps 0.5 pt 7 # black
set style line 2 lc rgb '#16469D' lt 1 lw 3.0 ps 0.5 pt 7 # dark blue
set style line 3 lc rgb '#BD202D' lt 1 lw 3.0 ps 0.5 pt 7 # red
set style line 4 lc rgb '#00A14B' lt 1 lw 3.0 ps 0.5 pt 7 # green
set style line 5 lc rgb '#4B96D1' lt 1 lw 3.0 ps 0.5 pt 7 # light blue
set style line 6 lc rgb '#F16521' lt 1 lw 3.0 ps 0.5 pt 7 # orange
set style line 7 lc rgb '#9F6EAF' lt 1 lw 3.0 ps 0.5 pt 7 # light purple
# Canonical colors - dashed line
set style line 11 lc rgb '#000000' lt 2 lw 3.0 ps 0.5 pt 7 # black
set style line 12 lc rgb '#16469D' lt 2 lw 3.0 ps 0.5 pt 7 # dark blue
set style line 13 lc rgb '#BD202D' lt 2 lw 3.0 ps 0.5 pt 7 # red
set style line 14 lc rgb '#00A14B' lt 2 lw 3.0 ps 0.5 pt 7 # green
set style line 15 lc rgb '#4B96D1' lt 2 lw 3.0 ps 0.5 pt 7 # light blue
set style line 16 lc rgb '#F16521' lt 2 lw 3.0 ps 0.5 pt 7 # orange
set style line 17 lc rgb '#9F6EAF' lt 2 lw 3.0 ps 0.5 pt 7 # light purple
Our new computer cluster, Helium, arrived yesterday!
This little stack of metal and silicon packs 20 nodes with 2 Intel Xeon E5-2650 v2 CPUs and 128 GB of RAM, connected by a QDR Infiniband switch (for a total of 320 cores). Helium is a cluster in progress. Once RAM is cheaper we are going to add a few more nodes (12) with 256 GB of memory.
As you can see it barely fit into our elevators.
Wallace and Francesco building the cluster.
Front and rear. Check out our QDR Infiniband switch!
This quote is from a book on the administration of Linux systems, but it applies as well to the world of programming.
More accurately, it may work perfectly almost all of the time but fail mysteriously and sporadically, leaving no evidence of what went wrong. Welcome to hell.
I just created a web site for the 2014 meeting of the Southeast Theoretical Chemistry Association (SETCA). This year this event will be hosted at Emory and I will be the principal organizer. Information about the meeting can be found at www.setca2014.info.
D-Wave, a Canadian company that specializes in quantum computing recently came out with a 512 qbits quantum annealing processor. In this great lecture, Matthias Troyer talks about testing this device to check if it really functions as quantum computer. I found this lecture on Scott Aaronson’s blog, a interesting blog worth following.