Software developer Classiq and innovation center Hatch have completed a computational chemistry proof-of-concept (PoC) to estimate molecular binding energy via Amazon Web Services (AWS) and Amazon Braket. Executed through Hatch’s Dimension X open innovation challenge for Singapore’s Home Team and aligned with Singapore’s National Quantum Strategy, the project establishes a functional pipeline for analyzing how small molecules interact with protein target structures. By pairing AWS high-performance classical computing nodes with Classiq’s quantum software platform, the workflow demonstrates an enterprise model for calculating molecular recognition indicators before committing to laboratory testing. Wavefunction-in-DFT Orbit Embedding and Active Space Selection Calculating molecular binding energy [...]

Classiq and Hatch completed a quantum chemistry proof of concept on AWS, combining classical HPC and quantum computing workflows.

Software developer Classiq and innovation center Hatch have completed a computational chemistry proof-of-concept (PoC) to estimate molecular binding energy via Amazon Web Services…