Lockheed Martin
A global security and aerospace company known for its advanced technology systems, products, and services in defence and space
In 2025, Lockheed Martin and IBM published research modeling methylene on a quantum computer, finding potential for use when quantum computers scale up.
Challenges
Solution
Results
“Open-shell” molecules cannot be exactly simulated with classical computers
Used a hybrid sample-based quantum diagonalization (SQD) algorithm to model excited states of methylene on a 52-qubit IBM quantum system
Found a close match to classical results, showing SQD potential to scale for more challenging molecules and complex reactions as quantum computers scale up
Challenges
“Open-shell” molecules cannot be exactly simulated with classical computers
Solution
Used a hybrid sample-based quantum diagonalization (SQD) algorithm to model excited states of methylene on a 52-qubit IBM quantum system
Results
Found a close match to classical results, showing SQD potential to scale for more challenging molecules and complex reactions as quantum computers scale up
“This study shows that quantum computers are starting to deliver value in real chemical simulations — not just toy problems or idealized systems. As quantum hardware continues to improve and methods like SQD mature, we’re opening the door to modeling complex reaction dynamics and designing better materials with the help of quantum tools.” – IBM Team