ResTech Lunch & Learn: IQMOL - running and processing quantum chemistry calculations using Katana

Tue, 20/10/2020 - 12:00 to 13:00

ResTech Lunch & Learn: IQMOL - an easy way for students to run and process quantum chemistry calculations using Katana

Researchers and software developers are always looking for ways to make interacting with computational systems easier. In this talk Junming Ho, Senior Lecturer and DECRA Fellow at the School of Chemistry, UNSW, will describe how students in his course are using IQmol chemistry application installed on their laptops to unleash the power of Katana without them needing to learn anything about how Katana works.

Katana is a shared computational cluster located on campus at UNSW that has been designed to provide easy access to computational resources for groups working with non-sensitive data. With over 4000 CPU cores spread over a large number of compute nodes each with up to 1Tb of memory, Katana provides a flexible compute environment where users can run jobs that wouldn't be possible or practical on their desktop or laptop.

About the presenter

Junming is a graduate of the University of Western Australia (B.Sc.) and the Australian National University (B.Sc. (Hons) and PhD). He was the recipient of the Lady James Prize for Physical Science (UWA), University Medal (ANU), Director's Prize (ANU) and Cornforth Medal (RACI). He has held appointments at Yale and the Institute of High Performance Computing in Singapore before commencing his current position in UNSW. ARC DECRA (2017-2020), Lecturer (2017-18), Senior Lecturer (2019-).

More information here.

This talk will be followed by a Q&A session.

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Key contact

Mrs Doris Margarita Harrison

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