Dawn of Practical Quantum Chemistry: ByteQC Toolkit by ByteDance Research

Accelerate quantum chemistry with ByteQC – ByteDance Research’s GPU-powered toolkit delivering gold standard accuracy for large-scale molecular simulations.

Real chemical systems contain a vast number of microscopic particles, and accurately computing them requires an exponential level of complexity. Simulating these systems has long been a challenging and cutting-edge problem in fields such as materials science, pharmaceuticals, and catalysis.

To address this issue, the ByteDance Research team recently developed and open-sourced ByteQC—a large-scale quantum chemistry computational toolkit accelerated by GPUs.

This toolkit leverages the powerful computing capabilities of GPUs to dramatically speed up common quantum chemistry algorithms. At the same time, it combines state-of-the-art quantum embedding methods to simulate large-scale quantum chemical systems with “gold standard” accuracy.