PsiQuantum and Boehringer Ingelheim have reported on a new approach for quantum chemistry calculations that leverage the Active Volume (AV) feature in PsiQuantum’s architecture. This approach is estimated to provide a 234x speedup in calculating the electronic structure of Cytochrome P450 and a 278x speedup for FeMoco. These advancements bring closer the practical application in future quantum computers for pharmaceutical drug design and sustainable agriculture.
The research, published on the pre-print server arXiv in the paper “Faster Quantum Chemistry Simulations on a Quantum Computer with Improved Tensor Factorization and Active Volume Compilation”, combines PsiQuantum’s Active Volume (AV) architecture, which optimizes quantum resource utilization, with novel algorithmic techniques like Block-Invariant Symmetry Shift (BLISS) and Tensor Hypercontraction (THC). These methods reduce the computational complexity of quantum chemistry problems, enabling faster and more efficient calculations.
Cytochrome P450, crucial for drug metabolism, and FeMoco, a key enzyme in nitrogen fixation, represent complex systems where quantum computing can provide transformative insights. Improved calculations could lead to more effective pharmaceuticals and energy-efficient fertilizers, addressing critical challenges in healthcare and agriculture.
For more details, read the full paper here, explore the summary here, or visit PsiQuantum’s blog post here.
January 16, 2025
