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April 15, 2024
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Fast and Accurate Conformer Search in Molecular Discovery

QC Ware will demonstrate how to perform conformer searches in Promethium for a wide range of applications and offer practical tips for how to carry out these analyses.
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Conformational analysis of molecules is a crucial theory technique used to uncover details of chemical activity across diverse fields of research, such as pharmaceuticals and materials. In particular, conformational analysis is invaluable for connecting computational simulation with real world experiments on flexible molecules.In this webinar, we will deep dive into the practical state of the art in conformer search using QC Ware’s new GPU accelerated density functional theory (DFT) platform, Promethium. We will demonstrate how to perform these conformer searches for a wide range of applications and offer practical tips for how to carry out these analyses in a resource efficient manner. We will highlight the unique features of Promethium, such its ease of use and fast calculation speed, that allows researchers to perform GPU accelerated conformational analysis using DFT routinely.

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Presenters
Alicia Rae Welden
Alicia Rae Welden
Technical Account Manager
Matthias Loipersberger
Matthias Loipersberger
Staff Scientist
Host
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