Researchers use quantum-centric supercomputing to simulate 12,635-atom protein complex
News
Rafi Letzter
Quantum Chemistry
Few fields will get value from quantum computing as quickly as chemistry. Even today’s supercomputers struggle to model a single molecule in its full complexity. We study algorithms designed to do what those machines can’t, and power a new era of discovery in chemistry, materials, and medicine.
Our work
How IBM Quantum is enabling healthcare and biology research
NewsRafi Letzter, Gopal Karemore, and Robert DavisQuantum computers take a step into real materials science
NewsPeter HessCleveland Clinic and IBM debut new quantum workflow for simulating proteins
NewsRafi LetzterQiskit C API enables new end-to-end quantum + HPC workflows
ExplainerJim Garrison, Hiroshi Horii (堀井 洋), Matthew Treinish, Antonio Córcoles, and Robert DavisIBM and Vanguard explore quantum optimization for portfolio construction
ResearchRoberto Lo Nardo and Gabriele Agliardi- See more of our work on Quantum Chemistry
Publications
Efficient Quantum Gibbs Sampling with Local Circuits
- Dominik Hahn
- Ryan Sweke
- et al.
- 2026
- PRX Quantum
PaperTowards secondary structure prediction of longer mRNA sequences using a quantum-centric optimization scheme
- Saurabh Shivpuje
- Dimitris Alevras
- et al.
- 2026
- APS Global Physics Summit 2026
PosterVariational preparation of normal matrix product states on quantum computers
- Ben Jaderberg
- George Pennington
- et al.
- 2026
- PRResearch
PaperHybrid Quantum Algorithms for Computational Chemistry: Application to the Pyridine–Li + Complex
- Fatemeh Ghasemi
- Yousung Kang
- et al.
- 2026
- arXiv
PaperCapturing Protein Free Energy Landscape using Efficient Quantum Encoding
- Ashwini K
- Jaya Vasavi P
- et al.
- 2025
- arXiv
PaperTowards secondary structure prediction of longer mRNA sequences using a quantum-centric optimization scheme
- Vaibhaw Kumar
- Dimitris Alevras
- et al.
- 2025
- QCE 2025
Conference paper