Hybrid Quantum Chemistry – Embedding quantum simulations in classical computers

SCM is proud to announce that it is one of the winners of the “Quantum SME” funding call sponsored by Quantum Delta NL, for a Quantum Computing project in collaboration with Prof. Lucas Visscher and Dr. Arno Förster at the Vrije Universiteit Amsterdam, as well as Dr. Ariana Torres Knoop at SURF. The project falls within the efforts by Quantum Delta NL to accelerate quantum technology developments throughout the Netherlands and establish a collaborative ecosystem that fosters international collaborations with the world’s top scientific institutions, businesses, students, and professionals.

This 3-year-long project titled “Hybrid Quantum Chemistry – Embedding quantum simulations in classical computers for potential energy surface exploration” involves the development and implementation of novel computational solutions for the modeling of complex chemical systems which combine both modern High-Performance Computing (HPC) infrastructures with current and upcoming Quantum Computing (QC) machines. This goal will be achieved via a hierarchy of different embedding strategies that treat the chemically or electronically most relevant regions of a system with highly accurate QC chemistry methods, while describing the surrounding atomistic environment using conventional approximations. The proposed approach makes optimal use of presently available HPC resources with advanced QC hardware and can be easily and immediately scaled up for future quantum computers.

These implementations will be integrated within the Amsterdam Modeling Suite (AMS), further expanding the panoply of solutions to chemistry problems that can be tackled by the software and push for novel technological innovations in many relevant fields, from drug to battery development.

Read the official announcement at the Quantum Delta NL website.