The convergent laboratory: when AI reasoning, autonomous experiments, high performance and quantum computing reshape chemistry

2026-09-04

Abstract

This Comment emerges from TPC26 (https://tpc26.org), a conference convening leaders from academia, national laboratories, and industry who are reshaping materials science discovery. The meeting explored how AI, autonomous agents, self-driving labs, higher performance and quantum computing converge to amplify their individual impact on materials science discovery. The perspectives here reflect the firsthand experiences of researchers at these frontiers and capture the essence of this global endeavor. As AI-driven reasoning, autonomous agentic frameworks, self-driving laboratories, and fault-tolerant quantum processors mature simultaneously, we offer this Comment as a reference at what we believe is a tipping point of transformative advances and productive disruption in the chemical sciences.

Problem

• AI reasoning
• autonomous experiments
• high performance computing
• quantum computing
• materials science discovery

Innovation

• AI reasoning
• autonomous experiments
• high performance computing
• quantum computing
• materials science discovery