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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

Quantum computers take a step into real materials science
News
Peter Hess
26 Mar 2026
Cleveland Clinic and IBM debut new quantum workflow for simulating proteins
News
Rafi Letzter
23 Mar 2026
Qiskit C API enables new end-to-end quantum + HPC workflows
Explainer
Jim Garrison, Hiroshi Horii (堀井洋), Matthew Treinish, Antonio Córcoles, and Robert Davis
20 Oct 2025
IBM and Vanguard explore quantum optimization for portfolio construction
Research
Roberto Lo Nardo and Gabriele Agliardi
29 Sep 2025
HSBC breaks new ground in quantum-enabled algorithmic trading with IBM quantum computers
News
Robert Davis
24 Sep 2025
- Quantum Finance
- Quantum Use Cases
Lockheed Martin & IBM combine quantum computing with classical HPC in new research
Research
Javier Robledo-Moreno, Gavin Jones, Roberto Lo Nardo, and Robert Davis
22 May 2025
See more of our work on Quantum Chemistry

Publications

Towards 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
Poster
Variational preparation of normal matrix product states on quantum computers
- - Ben Jaderberg
  - George Pennington
  - et al.
- 2026
- PRResearch
Paper
Hybrid Quantum Algorithms for Computational Chemistry: Application to the Pyridine–Li + Complex
- - Fatemeh Ghasemi
  - Yousung Kang
  - et al.
- 2026
- arXiv
Paper
Towards secondary structure prediction of longer mRNA sequences using a quantum-centric optimization scheme
- - Vaibhaw Kumar
  - Dimitris Alevras
  - et al.
- 2025
- QCE 2025
Conference paper
Co-optimization of codon usage and mRNA secondary structure using quantum computing
- - Dimitris Alevras
  - Mihir Metkar
  - et al.
- 2025
- QCE 2025
Short paper
Exploring the Challenges of Integrating HPC and Quantum Computing
- - Oscar Wallis
  - Stefano Mensa
  - et al.
- 2025
- QCE 2025
Tutorial

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