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DTSTART:19700308T020000
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DTSTART:19701101T020000
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DTSTAMP:20260422T000713Z
LOCATION:505
DTSTART;TZID=America/Denver:20231113T142400
DTEND;TZID=America/Denver:20231113T142700
UID:submissions.supercomputing.org_SC23_sess442_ws_whpc113@linklings.com
SUMMARY:Simulating Quantum Chemistry on Heterogeneous Architectures
DESCRIPTION:K. Grace Johnson (Hewlett Packard Labs)\n\nSimulating chemistr
 y with quantum mechanical accuracy is a challenging task, while at the sam
 e time crucial to describing certain molecular interactions. On a classica
 l machine, the scaling of quantum chemistry methods ranges from cubic for 
 popular but less accurate methods to exponential for the highest quality m
 ethods. Quantum computers may be able to reduce the exponential scaling fo
 r high-accuracy methods, but while current quantum devices remain noisy, i
 t is important to fully leverage modern high performance computing hardwar
 e. Doing so will enable pushing past present limits to study or even desig
 n new chemistry. In this work, we present efforts to scale quantum chemist
 ry simulations to heterogeneous HPC systems, simulate quantum circuits eff
 iciently on classical hardware, and provide an outlook on hybrid quantum/c
 lassical approaches.\n\nTag: State of the Practice\n\nRegistration Categor
 y: Workshop Reg Pass\n\nSession Chairs: Elsa J. Gonsiorowski (Lawrence Liv
 ermore National Laboratory (LLNL)) and Mozhgan Kabiri chimeh (NVIDIA Corpo
 ration)\n\n
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