The understanding of superconducting mechanisms in high critical temperature (HTc) materials (such as copper oxides) remains one of the most challenging topics in condensed matter physics. Using Quantum Monte Carlo simulations we aim to study realistic materials in order to determine whether high-temperature superconducting properties can be quantitatively understood and therefore predicted within an ab-initio approach. The TurboRVB package developed at SISSA (Scuola Internazionale Superiore di Studi Avanzati di Trieste) allows approaching this problem with massively parallel simulations. The TurboRVB is well suited for the DEEP Architecture since the Cluster part can be exploited for the optimisation of the many-body wave function, letting the Booster perform the evolution of the Monte Carlo walkers. In this way calculations of HTc material properties unaffordable with today's supercomputers will be accessible.
These simulations are done by CINECA, Italy.
"Quantum Monte Carlo is intrinsically parallel, and benefits directly by increasing the number of Monte Carlo walkers. Therefore, we need as much parallelism as possible. The massive amount of threads able to run on the Booster nodes, with their communications, is highly attractive to the QMC community. Traditionally, the parallelism available in BlueGene class machines fits very nicely our needs. Now we believe that the Booster in the DEEP project is a firm first step towards proving an alternative platform with a greater performance per watt and equally good scalability." - Fabio Affinito, CINECA