NEASQC webinar: KraChem

Date: June 21, 2022
Time: 11:15-12:00 CEST

The NEASQC (NExt ApplicationS of Quantum Computing) project brings together academic experts and industrial end-users to investigate and develop a new breed of quantum-enabled applications that can take advantage of NISQ (Noise Intermediate-Scale Quantum) systems in the near future. NEASQC is use-case driven, addressing practical problems such as drug discovery, CO2 capture, smart energy management, natural language processing, breast cancer detection, probabilistic risk assessment for energy infrastructures or inventory management.

To enable the chemistry-related use-cases in NEASQC, the Irish Centre for High-End Computing (ICHEC) has been working on developing an automatic subspace generation tool, called KraChem, for fragmenting larger molecular systems. This will allow creating smaller molecular sub-systems that can fit on the currently available NISQ systems.

In this webinar, the ICHEC team will introduce and demonstrate an early version of the KraChem tool, to share the current version and facilitate feedback for further development from the community.