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DTSTAMP:20191206T142457Z
LOCATION:Panorama 1
DTSTART;TZID=Europe/Stockholm:20180627T141500
DTEND;TZID=Europe/Stockholm:20180627T144500
UID:isc_hpc_ISC High Performance 2018_sess173_inv_sp_nm111@linklings.com
SUMMARY:Discovering Novel Materials: The Convergence of HPC, HTC and Data
Analytics
DESCRIPTION:Focus Session\n\nDiscovering Novel Materials: The Convergence
of HPC, HTC and Data Analytics\n\nMarzari\n\nQuantum-mechanical simulation
s have become massively used tools for scientific discovery and
technological advancement: thanks to their predictive power they can
suggest, accelerate, or support actual physical experiments. This is
a far-reaching paradigm shift,
substituting the cost- and time-scales
of brick-and-mortar facilities, equipment, and personnel with those,
very different, of computing engines, and aiming at understanding, p
redicting, or designing the properties and performance of novel or co
mplex materials and devices with computer simulations.
I will h
ighlight how the convergence of high-performance computing, high-throughpu
t computing, and data analytics is heralding a revolution in the effo
rt to discover novel materials with improved properties and performance. I
will in particular discuss the software infrastructure required to create
, monitor, record, reproduce, and disseminate millions of complex calculat
ions, and illustrate its power and promise with an example dedicated
to the discovery of novel two-dimensional materials with outstanding elect
ronic, optical, or topological properties.\n\nPasses: Conference Pass, Big
Data Analytics, Extreme-Scale Computing, HPC workflows, Molecular Researc
h, Scientific Software Development\n\nTag: Conference Pass, Big Data Analy
tics, Extreme-Scale Computing, HPC workflows, Molecular Research, Scientif
ic Software Development
URL:https://2018.isc-program.com/presentation/?id=inv_sp_nm111&sess=sess17
3
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