Mar 14 2017
While basis set convergence sounds straightforward (though time-consuming) it is hard to rule out that underlying assumptions in the design of the basis set influences the results. However, converged basis set DFT results are needed to separate basis set errors from errors due to the functional. Multiwavelets, a systematic and adaptive multiresolution numerical solution of the …
Apr 03 2016
An international collaboration with colleagues from over 30 universities and institutes to investigated to what extent quantum simulations of material properties agree when they are performed by different researchers and with different software. Thanks to an online collaboration, they successfully demonstrated that the most recent generations of codes agree well, in contrast to earlier generations. …
Ishiwata-sensei's team eager of condensed matter physics and pizza! During my visit to the University of Osaka.
This year promises much more exciting news. I was kindly invited by one of the leaders -worldwide- in the field of superconducting hydrides. His team have measured the highest superconducting transition at 250 K! (the machine in the picture)
