Automating Computational Materials Design with Explainable AI 2026

Event Details:

• Date:
• Time: 09:00 AM-06:00 PM (expected)
• Location: USA , Durham
• Type: Conference

Join Duke University's seminar on January 14, 2026, exploring AI-driven approaches to accelerate materials design and discovery.

Highlights

• Presentation by Thomas A.R. Purcell, Ph.D., on high-throughput density functional theory (DFT) calculations.
• Discussion on integrating explainable AI into materials design workflows.
• Focus on accelerating materials discovery for energy and sustainability applications.
• Insights into developing new high-throughput workflows for solid-state and polymer materials.
• Exploration of design rules to guide future experimental studies.
• Showcase of workflow architectures for verifying DFT calculation consistency.
• Event co-sponsored by multiple departments, including Biology, Biomedical Engineering, and Chemistry.
• Opportunity for interdisciplinary collaboration among researchers and students.
• Part of Duke Materials Initiative's ongoing seminar series.
• Event scheduled from 12:00 pm to 1:00 pm on January 14, 2026.

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